Publications

Books Edited

"Subduction Dynamics: From Mantle Flow to Mega Disasters", Geophysical Monograph 211, First Edition (2016), ed. by: G. Morra, D. A. Yuen, S. D. King, S.M. Lee, S. Stein.
Online: http://www.wiley.com/WileyCDA/WileyTitle/productCd-1118888855.html#

"High-Performance Computing on the Intel Xeon Phi", Springer 5, 2 (2014), ed. by: E. Wang, Q. Zhang, B. Shen, G. Zhang, X. Lu, Q. Wu, Y. Wang. Translators: D.A. Yuen, C. Li, L. Zheng, S. Zhang, C. Qian.
Online: http://www.springer.com/cn/book/9783319064857#aboutBook

"GPU Solutions to Muti-scale Problems in Science and Engineering", Lecture Notes in Earth System Sciences (2013), ed. by D. A. Yuen, J. Wang, L. Johnsson, A.-H. Chi, and Y. Shi.
Online: http://link.springer.com/book/10.1007/978-3-642-16405-7

"Theoretical and Computational Methods in Mineral Physics: Geophysical Applications", Reviews in Mineralogy and Geochemistry, Mineralogical Society of Americal, vol. 71 (2010), ed. by R. M. Wentzcovitch, and L. Stixrude.
Online: http://rimg.geoscienceworld.org/current.dtl


2017

257. "Persistence of strong silica-enriched domains in the Earth's lower mantle", M.D. Ballmer, C. Houser, J.W. Hernlund, R. M. Wentzcovitch, K. Hirose, Nature Geoscience, 10, 236-241 (2017). DOI: 10.1038/NGEO2898
PDF

256. "Submicron size-scale mapping of carbonate effective elastic properties from FIB-SEM images and finite element method", H.H. Cheng, B.J. Zhu, D.A. Yuen, Y.L. Shi, Science China-Earth Sciences 60, 557-575 (2017). DOI: 10.1007/s11430-015-0132-9
PDF

255. "Deep geothermal processes acting on faults and solid tides in coastal Xinzhou geothermal field", G.P. Lu, X. Wang, F.S. Li, F.Y.M. Xu, Y.X. Wang, S.H. Qi, D. Yue, Phys. Earth & Planet. Int. 264, 76-88 (2017). DOI: 10.1016/j.pepi.2016.12.004
PDF

254. "Pre-melting hcp to bcc Transition in Beryllium", Y. Lu, T. Sun, P. Zhang, D.B. Zhang, R. M. Wentzcovitch, Phys. Rev. Lett. 118, 145702 (2017). DOI: 10.1103/PhysRevLett.118.145702
PDF

253. "First principles study of volume isotope effects in ices VIII and X", K. Umemoto, R. M. Wentzcovitch, Japanese Journal of Applied Physics 56, 05FA03 (2017). DOI: https://doi.org/10.7567/JJAP.56.05FA03
PDF

252. "Influence of the iron spin crossover in ferropericlase on the lower mantle geotherm", J.J Valencia-Cardona, G. Shukla, Z.Q. Wu, C. Houser, D.A. Yuen, R. M. Wentzcovitch, Geophys. Res. Lett. 44, 4863-4871 (2017). DOI: 10.1002/2017GL073294
PDF

251. "Composition versus temperature induced velocity heterogeneities in a pyrolitic lower mantle", Z.Q. Wu, R. M. Wentzcovitch, Earth Planet. Sci. Lett. 457, 359-365 (2017). DOI: 10.1016/j.epsl.2016.10.009
PDF

250. "Multiscale assessment of micro-seismicity and slow earthquakes", D.A. Yuen, S. Ni, Y. Wang, C. Xu, M. Veveakis, Phys. Earth & Planet. Int. 264, 18-19 (2017). DOI: 10.1016/j.pepi.2017.02.005
PDF

249. "Lattice thermal conductivity of MgSiO3 perovskite from first principles", N. Ghaderi, D.-B. Zhang, H. Zhang, J. Xian, T. Sun, and R. M. Wentzcovitch, Scient. Rep. 7, 5417 (2017). DOI: 10.1038/s41598-017-05523-6
PDF

248. "Evolutionary optimization of PAW data-sets for high pressure simulations", K. Sarkar, M. Topsakal, N. Holzwarth, and R. M. Wentzcovitch, J. Comp. Phys. 347, 39–55 (2017). DOI: 10.1016/j.jcp.2017.06.032
PDF

247. "Electronic structure of BaSnO3 investigated by high energy resolution EELS and ab initio calculations", H. Yun, M. Topsakal, A. Prakash, K. Ganguly, C. Leighton, B. Jalan, R. M. Wentzcovitch, J. S. Jeong, and K. A. Mkhoyan, Phys. Rev. B (2017), under review (arXiv:1611.09284 [cond-mat.mtrl-sci])
PDF

246. "Bullen’s parameter as a seismic observable for spin crossover in the lower mantle", J.J Valencia-Cardona, Q. Williams, G. Shukla, R. M. Wentzcovitch, Geophys. Res. Lett. (2017), under review
PDF

245. "Importance of Van der Waals interaction on structural, vibrational, and thermodynamics properties of NaCl", M. L. Marcondes, R. M. Wentzcovitch, L. V. C. Assali, Solid State Comm. (2017), under review

244. "Phase transitions in MgSiO3 post-perovskite in terrestrial exoplanetary mantles", K. Umemoto, S. Q. Wu, M. Ji, C. Z. Wang, K.-M. Ho, R. M. Wentzcovitch, Earth Planet. Sci. Lett. (2017), under review

243. "Sub-minimum mean free path in MgSiO3-perovskite: insights from phonon quasiparticles", D.B. Zhang, P.B. Allen, T. Sun, R. M. Wentzcovitch, Phys. Rev. Lett. (2017), under review

242. "Ab initio study of water speciation in forsterite", T. Qin, R. M. Wentzcovitch, K. Umemoto, M. Hirschmann, D. Kohlstedt,American Mineralogist (2017), Submitted

241. "Evolutionary technique for generating PAW datasets for high pressure simulations", K. Sarkar, N. Holzwarth, R. M. Wentzcovitch, Comp. Phys. Comm. (2017), Submitted

2016

240. "Particle Automata in Modeling of Multiscale Biological Systems", W. Dzwinel, R. Wcislo, D.A. Yuen, S. Miller, Acm Transactions on Modeling and Computer Simulation 26, (2016). DOI: 10.1145/2827696
PDF

239. "A New Line Defect in NdTiO3 Perovskite", J.S. Jeong, M. Topsakal, P. Xu, B. Jalan, R. M. Wentzcovitch, K.A. Mkhoyan,Nano Lett. 16, 6816-6822 (2016). DOI: 10.1021/acs.nanolett.6b02532
PDF

238. "Modeling wave and spectral characteristics of moored ship motion in Pohang New Harbor under the resonance conditions", P. Kumar, H. Zhang, K. I. Kim, Y. Shi, and D. A. Yuen,Ocean Engineering 119, 101-113 (2016). DOI: 10.1016/j.oceaneng.2016.04.027
PDF

237. "Shallow magma chamber under the Wudalianchi Volcanic Field unveiled by seismic imaging with dense array", Z.W. Li, S.D. Ni, B.L. Zhang, F. Bao, S.Q. Zhang, Y. Deng, D.A. Yuen,Geophys. Res. Lett. 43, 4954-4961 (2016). DOI: 10.1002/2016GL068895
PDF

236. "Thermoelasticity of Fe3+- and Al-bearing bridgmanite: Effects of iron spin crossover", G. Shukla, M. Cococcioni, R. M. Wentzcovitch,Geophys. Res. Lett. 43, 5661-5670 (2016). DOI: 10.1002/2016GL069332
PDF

235. "Spin crossover in (Mg,Fe3+)(Si,Fe3+)O3 bridgmanite: Effects of disorder, iron concentration, and temperature", G. Shukla, R. M. Wentzcovitch,Phys. Earth & Planet. Int. 260, 53-61 (2016). DOI: 10.1016/j.pepi.2016.09.003
PDF

234. "First-principles study of crystal and electronic structure of rare-earth cobaltites", M. Topsakal, C. Leighton, R. M. Wentzcovitch,Journal of Applied Physics 119, 244310 (2016). DOI: 10.1063/1.4954792
PDF

233. "Post-stishovite transition in hydrous aluminous SiO2", David A. Yuen, Sidao Ni, Yibo Wang, Chang Xu, Manny Veveakis,Physics of the Earth and Planetary Interiors, 10.1016/j.pepi.2016.10.006
PDF

232. "Forward to the Special Issue in Physics of the Earth and Planetary Interiors on Multiscale Assessment of Micro-Seismicity and Slow Earthquakes", David A. Yuen, Sidao Ni, Yibo Wang, Chang Xu, Manny Veveakis,Physics of the Earth and Planetary Interiors, 10.1016/j.pepi.2016.10.006
PDF

231. "The implications of regional microseismic activities: A lesson from 2008 Ms. 8.0 Wenchuan earthquake", H. Zhang, H.H. Cheng, Y.M. Jin, G. Luo, J.J. Wang, D.A. Yuen, Y.L. Shi,Phys. Earth & Planet. Int. 261, 107-117 (2016). DOI: 10.1016/j.pepi.2016.06.006
PDF

230. "Influence of the impoundment of the Three Gorges Reservoir on the micro-seismicity and the 2013 M5.1 Badong earthquake (Yangtze, China)", H. Zhang, H.H. Cheng, Y.J. Pang, Y.L. Shi, D.A. Yuen, Phys. Earth & Planet. Int. 261, 98-106 (2016). DOI: 10.1016/j.pepi.2016.06.007
PDF

2015

229. "A quantitative index for measuring the development of supercomputing", Y.H. Hu, X.B. Chi, D. Chen, D.K. Kahaner, D.A. Yuen., Concurrency and Computation-Practice & Experience 27, 4685-4703 (2015). DOI: 10.1002/cpe.3451, in press (2015).
PDF

228. "Accurate thermoelastic tensor and acoustic velocities of NaCl", M.L. Marcondes, G. Shukla, P. da Silveira, R. M. Wentzcovitch, Aip Advances 5, 127222 (2015). DOI: 10.1063/1.4938550, in press (2015).
PDF

227. "Nature of the volume isotope effect in ice", K. Umemoto, E. Sugimura, S. de Gironcoli, Y. Nakajima, K. Hirose, Y. Ohishi, R. M. Wentzcovitch, Phys. Rev. Lett. 115, 173005 (2015). DOI: 10.1103/PhysRevLett.115.173005, in press (2015).
PDF

226. "Iron spin crossover and its influence on post-perovskite transitions in MgSiO3 and MgGeO3", G. Shukla, M. Topsakal, and R. M. Wentzcovitch, Phys. Earth & Planet. Int., in press (2015) DOI: 10.1016/j.pepi.2015.10.002.
PDF

225. "Viscosity undulations in the lower mantle: The dynamical role of iron spin transition", J. F. Justo, G. Morra, and D. A. Yuen, Earth Planet. Sci. Lett., 421, 20-26 (2015). DOI: 10.1016/j.epsl.2015.03.013
PDF

224. "Atomic and electronic structure of exfoliated black phosphorus", R. Wu, M. Topsakal, M. Robbins, N. Haratipour, J. Jeong, R. M. Wentzcovitch, S. Koester, and K. A. Mkhoyan, J. Vac. Sc. Tech., A 33, 060604 (2015). DOI: 10.1116/1.4926753
PDF

223. "Hybrid ab-initio/experimental high temperature equations of state: Application to the NaCl pressure scale", M. L. Marcondes, and R. M. Wentzcovitch, J. Appl. Phys., 117(21), 215902 (2015). DOI: 10.1063/1.4921904
PDF

222. "Thermoelasticity of Fe2+-bearing bridgmanite", G. Shukla, Z. Wu, H. Hsu, A. Floris, M. Cococcioni, and R. M. Wentzcovitch, Geophys. Res. Lett., 42(6), 1741-1749 (2015). DOI: 10.1002/2014GL062888
PDF

221. "Generation of tectonic over-pressure inside subducting oceanic lithosphere involving phase-loop of olivine-wadsleyite transition", B. -D. So and D. A. Yuen, Earth & Planet Sc. Lett., 413, 59-69 (2015). DOI: 10.1016/j.epsl.2014.12.048
PDF

220. "Wave spectral modeling of multidirectional random waves in a harbor through combination of boundary integral of Helmholtz equation with Chebyshev point discretization", P. Kumar, H. Zhang, K. I. Kim, Y. Shi, and D. A. Yuen, Comput. Fluids, 108, 13-24 (2015). DOI: 10.1016/j.compfluid.2014.11.021

219. "Foreword: Toward a quantitative understanding of the frontier in geothermal energy", K. Regenauer-Lieb, D. A. Yuen, S. Qi, et al., J. Earth Sc., 26, 1-1 (2015). DOI: 10.1007/s12583-015-0601-4
PDF

218. "Deep geothermal: The 'Moon Landing' mission in the unconventional energy and minerals space", K. Regenauer-Lieb, A. Bunger, S. Qi, D. A. Yuen, et al., J. Earth Sc., 26, 2-10 (2015). DOI: 10.1007/s12583-015-0515-1
PDF

217. "Electro-pulse-boring (EPB): Novel super-deep drilling technology for low cost electricity", H. O. Schiegg, O. Hans, A. Rodland, G. Zhu, D. A. Yuen, et al., J. Earth Sc., 26, 37-46 (2015). DOI: 10.1007/s12583-015-0519-x
PDF

216. "SEPRAN: A versatile finite-element package for a wide variety of problems in geosciences", A. van den Berg, G. Segal, and D. A. Yuen, J. Earth Sc., 26, 89-95 (2015). DOI: 10.1007/s12583-015-0508-0
PDF

215. "Submicron Volume Roughness & Asperity Contact Friction Model for Principle Slip Surface in Flash Heating Process ", B. Zhu, D. A. Yuen, Y. Shi, et al., J. Earth Sc., 26, 96-107 (2015). DOI: 10.1007/s12583-015-0514-2
PDF

214. "Mineralogy of the deep mantle - the post-perovskite phase and its geophysical significance", K. Hirose, T. Lay, R. M. Wentzcovitch, and D. A. Yuen, Treatise in Geophysics, 2, 85-115 (2015). DOI: 10.1016/B978-0-444-53802-4.00054-3

213. "Numerical Methods for Mantle Convection", S. J. Zhong, D. A. Yuen, L. N. Moresi, and M. G. Knepley, Treatise in Geophysics, 2, 197-222 (2015). DOI: 10.1016/B978-0-444-53802-4.00130-5

212. "Searching for high magnetization density in bulk Fe: The new metastable Fe6 phase", K. Umemoto, B. Himmetoglu, J. Wang, R. M. Wentzcovitch, and M. Cococcioni, Journal of Physics-Condensed Matter, 27(1), 016001 (2015). DOI: 10.1088/0953-8984/27/1/016001
PDF

2014

211. "First-principles study of intermediate-spin ferrous iron in the earth's lower mantle", H. Hsu, and R. M. Wentzcovitch, Phys. Rev. B, 90(19), 195205 (2014). DOI: 10.1103/PhysRevB.90.195205
PDF

210. "Accurate projected augmented wave (PAW) datasets for rare-earth elements (Re=La-Lu)", M. Topsakal and R. M. Wentzcovitch, Comp. Mat. Sc., 95, 263-272 (2014). DOI: 10.1016/j.commatsci.2014.07.030

209. "Physics-controlled thickness of shear zones caused by viscous heating: Implications for crustal shear localization", T. Duretz, S. M. Schmalholz, Y. Y. Podladchikov, and D. A. Yuen, Geophys.Res.Lett., 41(14), 4904-4911 (2014). DOI: 10.1002/2014GL060438
PDF

208. "Stationary points in activation energy for heat dissipated with a power law temperature-dependent viscoelastoplastic rheology", B. -D. So and D. A. Yuen, Geophys.Res.Lett., 41(14), 4953-4960 (2014). DOI: 10.1002/2014GL060713
PDF

207. "Spin crossover in ferropericlase and velocity heterogeneities in the lower mantle", Z. Wu, and R. M. Wentzcovitch, Proc. Natl. Acad. Sci. U.S.A., 111, 10468 (2014). DOI: 10.1073/pnas.1322427111
PDF

206. "First-principles elasticity of monocarboaluminate hydrates", J. Moon, S. Yoon, R. M. Wentzcovitch, and P. J. M. Monteiro, Amer. Mineral., 99(7), 1360-1368 (2014). DOI: 10.2138/am.2014.4597
PDF

205. "Thermo-poro-mechanics of chemically active creeping faults: 3. the role of serpentinite in episodic tremor and slip sequences, and transition to chaos", T. Poulet, E. Veveakis, K. Regenauer-Lieb, and D. A. Yuen, Journal of Geophysical Research-Solid Earth, 119(6), 4606-4625 (2014). DOI: 10.1002/2014JB011004
PDF

204. "Visual exploration of data by using multidimensional scaling on multicore CPU, GPU, and MPI cluster", P. Pawliczek, W. Piotr, and D. A. Yuen, Concurrency & Computation-Practice & Experience, 26, 662-682 (2014). DOI: 10.1002/cpe.3027
PDF

203. "Dynamic stabilization of cubic CaSiO3 perovskite at high temperatures and pressures from ab initio molecular dynamics", T. Sun, D. Zhang, and R. M. Wentzcovitch, Phys. Rev. B, 89(9), 094109 (2014). DOI: 10.1103/PhysRevB.89.094109
PDF

202. "Phonon quasiparticles and anharmonic free energy in complex systems", D. Zhang, T. Sun, and R. M. Wentzcovitch, Phys. Rev. Lett., 112(5), 058501 (2014). DOI: 10.1103/PhysRevLett.112.058501
PDF

201. "Adaptive genetic algorithm for crystal structure prediction", S. Q. Wu, M. Ji, C. Z. Wang, M. C. Nguye, X. Zhao, K. Umemoto, R. M. Wentzcovitch, and K. M. Ho, J. Phys.: Condens. Matter, 26, 035402 (2014). DOI: 10.1088/0953-8984/26/3/035402
PDF

200. "Implementation of a multigrid solver on a GPU for Stokes equations with strongly variable viscosity based on Matlab and CUDA", L. Zheng, H. Zhang, T. Gerya, D. A. Yuen, et al., Intl. J. High. Perf. Comp. Appl., 28, 50-60 (2014). DOI: 10.1177/1094342013478640
PDF

199. "Mid-mantle heterogeneities associated with Izanagi plate: Implications for regional mantle viscosity", J. Li and D. A. Yuen, Earth & Planet Sc. Lett., 385, 137-144 (2014). DOI: 10.1016/j.epsl.2013.10.042
PDF

2013

198. "Wave field analysis in a harbor with irregular geometry through boundary integral of helmholtz equation with corner contributions", P. Kumar, H. Zhang, D. A. Yuen, and K. I. Kim, Comput. Fluids, 88, 287-297 (2013). DOI: 10.1016/j.compfluid.2013.09.020

197. "Foreword: East-west asymmetry of the inner core and earth rotational dynamics", D. A. Yuen and S. Ni, Journal of Earth Science, 24(5), 667-668.
PDF

196. "An efficient implicit-explicit adaptive time stepping scheme for multiple-time scale problems in shear zone development", B. So, D. A. Yuen, and S. Lee, Geochemistry Geophysics Geosystems, 14(9), 3462-3478 (2013). DOI: 10.1002/ggge.20216
PDF

195. "Influences of temperature-dependent thermal conductivity on surface heat flow near major faults", B. So and D. A. Yuen, Geophys. Res. Lett., 40(15), 3868-3872 (2013). DOI: 10.1002/grl.50780
PDF

194. "Elastic anomalies in a spin-crossover system: Ferropericlase at lower mantle conditions", Z. Wu, J. F. Justo, and R. M. Wentzcovitch, Phys. Rev. Lett., 110(22), 228501 (2013). DOI: 10.1103/PhysRevLett.110.228501
PDF

193. "P and SH velocity structure in the upper mantle beneath Northeast China: Evidence for a stagnant slab in hydrous mantle transition zone", J. Li, X. Wang, X. Wang, and D. A. Yuen, Earth and Planet. Sci. Lett., 367, 71-81. DOI: 10.1016/j.epsl.2013.02.026
PDF

192. "Phase equilibria of (Mg,Fe)2SiO4 at the Earth's upper mantle conditions from first-principles studies", Y. Yu, V. Vinograd, B. Winkler, and R. M. Wentzcovitch, Phys. Earth & Planet. Int., 217, 36-47 (2013). DOI: 10.1016/j.pepi.2013.01.004
PDF

191. "Mantle dynamics with pressure- and temperature-dependent thermal expansivity and conductivity", N. Tosi, D. A. Yuen, N. de Koker, and R. M. Wentzcovitch, Phys. Earth Planet. Inter., 217, 48-58 (2013). DOI: 10.1016/j.pepi.2013.02.004
PDF

190. "Thermo elasticty of (Fex,Mg1-x)2SiO4 olivine and wadsleiyte", M. Nunez-Valdez, Z. Wu, Y. Yu, and R. M. Wentzcovitch, Geophys. Res. Lett., 40, 290-294 (2013). DOI: 10.1002/grl.50131
PDF

189. "A revised evaluation of tsunami hazards along the Chinese coast in view of the Tohoku-Oki earthquake", H. H. Jing, H. Zhang, D. A. Yuen, and Y. Shi, Pure Appl. Geophys., 170(1-2), 129-138 (2013). DOI: 10.1007/s00024-012-0474-8
PDF

2012

188 "Direct Determination of Electric Current in Born-Oppenheimer Molecular Dynamics", T. Sun and R. M. Wentzcovitch, Chem. Phys. Lett. 554, 15-19 (2012). DOI: 10.1016/j.cplett.2012.10.052
PDF

187. "Spin state crossovers in iron bearing perovskite: a review of first principles studies", R. M. Wentzcovitch, H. Hsu, and K. Umemoto, Europ. J. Mineral. (special issue) 24, 851-862 (2012). DOI: 10.1127/0935-1221/2012/0024-2249
PDF

186. "Effects of aluminum on spin-state crossover of iron in the Earth's lower mantle", H. Hsu, Y. Yu, and R. M. Wentzcovitch, Earth & Planet. Sc. Lett. 359-360, 34-39 (2012). DOI: 10.1016/j.epsl.2012.09.029
PDF

185. "Thermoelastic properties of wadsleyite and ringwoodite (Fex,Mg1-x)2SiO4: their relationship to the 520 km seismic discontinuity", M. Nunez-Valdez, Z. Wu, Y. Yu, J. Reveneaugh and R. M. Wentzcovitch, Earth & Planet. Sc. Lett. 351-352, 115-122 (2012). DOI: 10.1016/j.epsl.2012.07.024
PDF

184. "Elasticity of diamond at high pressures and temperatures", M. Nunez-Valdez, K. Umemoto, and R. M. Wentzcovitch, Appl. Phys. Lett. 101, 170912 (2012). DOI: 10.1063/1.4754548
PDF

183. "Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations", H. Hsu, P. Blaha and R. M. Wentzcovitch, J. Am. Ceram. Soc. 95, 2972 (2012). DOI: 10.1111/j.1551-2916.2012.05301.x
PDF

182. "Ferromagnetic insulating state in tensile-strained LaCoO3 thin films", H. Hsu, P. Blaha and R. M. Wentzcovitch, Phys. Rev. B (RC) 85, 140404 (2012). DOI: 10.1103/PhysRevB.85.140404
PDF

181. "Numerical simulation of march 11, 2011 Honshu, Japan tsunami", HuiMin Jing, Huai Zhang, ZhongLiang Wu, D.A. Yuen, and YaoLin Shi, Chinese Science Bulletin, 57(27), 3617-3622 (2012). DOI: 10.1007/s11434-012-5229-5
PDF

180. "Numerical analysis of wave hazards in a harbor", HuiMin Jing, Huai Zhang, D.A. Yuen, and YaoLin Shi, Science China-Earth Sciences, 55(9), 1554-1564 (2012). DOI: 10.1007/s11430-012-4388-1
PDF

179. "Asymmetric lithospheric instability facilitated by shear modulus contrast: Implications for shear zones", B. So, D.A. Yuen, K. Regenauer-Lieb, and S. Lee, Geophysical Journal International, 190(1), 23-36 (2012). DOI: 10.1111/j.1365-246X.2012.05473.x
PDF

178. "Spin states and hyperfine interactions of iron incorporated in MgSiO3 post-perovskite", Y. Yu, H. Hsu, M. Cococcioni, R. M. Wentzcovitch, Earth & Planet. Sc. Lett. 331-332, 1 (2012). DOI: 10.1016/j.epsl.2012.03.002
PDF

177. "Near field high resolution numerical simulation of tohoku 2011 tsunami on multi-core system", S. Song, L. Zheng, A. Zhu, D.A. Yuen, S. Zhang,and Z. Lu, 2012 International Conference on Industrial Control and Electronics Engineering (Icicee), 1881-1884 (2012). DOI: 10.1109/ICICEE.2012.499
PDF

176. "On the dynamics of 3-D single thermal plumes at various prandtl numbers and rayleigh numbers", A. P. Vincent, D.A. Yuen, D. Munger, and G. Zhu, Geophys. Astrophys.l Fluid Dyn., 106(2), 138-156 (2012). DOI: 10.1080/03091929.2011.563238

2011

175. "Bent-shaped plumes and horizontal channel flow beneath the 660 km discontinuity", N. Tosi, and D.A. Yuen, Earth and Planetary Science Letters, 312(3-4), 348-359 (2011). DOI: 10.1016/j.epsl.2011.10.015
PDF

174. "Ultrahigh-pressure phases of H2O ice predicted using an adaptive genetic algorithm", M. Ji, K. Umemoto, C.-Z Wang, K.-M. Ho, and R. M. Wentzcovitch, Phys. Rev. B 84, Rap. Comm.220106 (2011). DOI: 10.1103/PhysRevB.84.220105
PDF

173. "First-principles study of electronic and structural properties of CuO", B. Himmetoglu; R. M. Wentzcovitch; M. Cococcioni, Phys. Rev. B 84, 115108 (2011). DOI: 10.1103/PhysRevB.84.115108
PDF

172. "VLab: an updated overview of system service and architecture", Pedro R. C. da Silveira, M. Nunez-Valdez, R. M. Wentzcovitch, M. Pierce, and D. A. Yuen, Proc. of Teragrid 2011 Conference, ISBN: 978-1-4503-0888-5 aritcle 33 p. 1-8 (2011). DOI: 10.1145/2016741.2016777
PDF

171. "Influence of iron on the elastic properties of wadsleiyte and ringwoodite", M. Nunez-Valdez, P. da Silveira, R. M. Wentzcovitch, J. Geophys. Res., 116, B12207 (2011). DOI: 10.1029/2011JB008378.
PDF

170. "Two-stage dissociation of MgSiO3 post-perovskite", K. Umemoto and R. M. Wentzcovitch, Earth & Planet. Sci. Lett., 311(3-4), 225-229 (2011). DOI: 10.1016/j.epsl.2011.09.032
PDF

169. "The Impact of Variability in the Rheological Activation Parameters on Lower-Mantle Viscosity Stratification and its Dynamics", C. Matisca, D.A. Yuen, H. Cizkova, and R. M. Wentzcovitch, Phys. Earth & Planet Int., 188(1-2), 1-8 (2011). DOI: 10.1016/j.pepi.2011.05.012
PDF

168. "The High Pressure Electronic Spin Transition in Iron: Impacts upon Mantle Mixing", M. H. Shahnas, W. R. Peltier, Z. Wu, R. M. Wentzcovitch, J. Geophys. Res., 116, B08205 (2011). DOI: 10.1029/2010JB007965
PDF

167. "A first-principles investigation of hydrous defects and IR frequencies in forsterite: The case for Si vacancies", K. Umemoto, R. M. Wentzcovitch, M. Hirschmann, D. Kohlstedt, and A. Withers, Amer. Miner., 96(10), 1475-1479 (2011). DOI: 10.2138/am.2011.3720
PDF

166. "Quasiharmonic thermal elasticity of crystals: an analytical approach", Z. Wu and R. M. Wentzcovitch, Phys. Rev. B 83, 184115 (2011). DOI: 10.1103/PhysRevB.83.184115
PDF

165. "Identification of post-pyrite phase transition in SiO2 by genetic algorithm", S. Wu, K. Umemoto, M. Ji, C.-Z. Wang, K.-M. Ho, and R. M. Wentzcovitch, Phys. Rev. B 83, 184102 (2011). DOI: 10.1103/PhysRevB.83.184102
PDF

164. "Thermodynamic properties of MgSiO3 majorite and phase transitions near 660-km depth in MgSiO3 and Mg2SiO4: a first principles study", Y. Yu, R. M. Wentzcovitch, V. Vinograd, and R. J. Angel, J. Geophys. Res. 116, B02208 (2011). DOI: 10.1029/2010JB007912
PDF

163. "Spin-state crossover and hyperfine interactions of ferric iron in MgSiO3 perovskite", H. Hsu, P. Blaha, M. Cococcioni, and R. M. Wentzcovitch, Phys. Rev. Lett., 106, 118501 (2011). DOI: 10.1103/PhysRevLett.106.118501
PDF


PRL cover.
Physics Today note: http://blogs.physicstoday.org/update/2011/03/electron-spins-in-earths-mantl.html


http://ptonline.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PHTOAD000064000005000012000001&idtype=cvips

162. "The Hubbard U correction for iron-bearing minerals: A discussion based on (Mg,Fe)SiO3 perovskite", H. Hsu, R. M. Wentzcovitch, K. Umemoto, and M. Cococcioni, Phys. Earth & Planet. Int, 185, 13-19 (2011). DOI: 10.1016/j.pepi.2010.12.001
PDF

161. "Protocore destabilization in planetary embryos formed by cold accretion: Feedbacks from non-newtonian rheology and energy dissipation", J. Lin, T. V. Gerya, P. J. Tackley, D.A. Yuen, and G. J. Golabek, Icarus, 213(1), 24-42 (2011). DOI: 10.1016/j.icarus.2011.02.021
PDF

160. "Effect of the d electrons on phase transitions in transition-metal sesquioxides", K. Umemoto and R. M. Wentzcovitch, Phys. Chem. Miner. 38, 387 (2011). DOI: 10.1007/s00269-010-0412-1
PDF

159. "Regional stress fields under Tibet from 3D global flow simulation", Zhang S, Xing HL, Yuen DA, Zhang HA, Shi YL, Journal of Earth Science, 1674-487X (2010) DOI: 10.1007/s12583-011-0167-8
PDF

158. "Influences of lower-mantle properties on the formation of asthenosphere in oceanic upper mantle", Yuen DA, Tosi N, Cadek O, Journal of Earth Science, 1674-487X (2011) DOI: 10.1007/s12583-011-0166-9
PDF

157. "Melt evolution above a spontaneously retreating subducting slab in a three-dimensional model", Zhu GZ, Gerya T, Yuen DA, Journal of Earth Science, 1674-487X (2011) DOI: 10.1007/s12583-011-0165-x
PDF

156. "Influences of the buoyancy of partially molten rock on 3-D plume patterns and melt productivity above retreating slabs", Zhu GZ, Gerya TV, Honda S, Tackley PJ, Yuen DA, Physics of the Earth and Planetary Interiors, 0031-9201 (2011) DOI: 10.1016/j.pepi.2011.02.005
PDF

155. "Parallel numerical analysis on the rheology of the martian ice-rock mixture", Jing HM, Zhang HA, Li H, Yuen DA, Shi YL, Journal of Earth Science, 1674-487X (2011) DOI: 10.1007/s12583-011-0170-0
PDF

154. "Small-scale mineralogical heterogeneity from variations in phase assemblages in the transition zone and DaEuro(3) layer predicted by convection modelling", van den Berg AP, Yuen DA, Jacobs MHG, de Hoop MV, Journal of Earth Science, 1674-487X (2011) DOI: 10.1007/s12583-011-0168-7
PDF

153. "Ascent of bubbles in magma conduits using boundary elements and particles", G. Morra, L. Quevedo, D.A. Yuen, and P. Chatelain, Proceedings of the International Conference on Computational Science (Iccs), 4, 1554-1562 (2011). DOI: 10.1016/j.procs.2011.04.168
PDF

2010

152. "Order-disorder phase transition in ice VII-VIII by first principles", K. Umemoto, R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni, Chem. Phys. Lett., 499, 236 (2010). DOI: 1 0.1016/j.cplett.2010.09.065
PDF

151. "Cobalt spin states and hyperfine interactions in LaCoO3 investigated by LDA+U calculations", H. Hsu, P. Blaha, R. M. Wentzcovitch, and Chris Leighton, Phys. Rev. B. 82, 100406 (2010). DOI: 10.1103/PhysRevB.82.100406
PDF

150. "Fundamentals of elasticity of (Mg(1-x)Fex)2SiO4-olivine", M. Nunez-Valdez, K. Umemoto, and R. M. Wentzcovitch, Geophys. Res. Lett. 37, L14308 (2010). DOI:10.1029/2010GL044205
PDF

149. "Effect of site degeneracies on the spin crossovers in (Mg,Fe)SiO3", K. Umemoto, H. Hsu, and R. M. Wentzcovitch, Phys. Earth. Planet. Int., 180, 209-214 (2010). DOI:10.1016/j.pepi.2009.10.014
PDF

148. "Multi-Mbar phase transitions in minerals", K. Umemoto, and R. M. Wentzcovitch, Reviews in Mineralogy & Geochemistry, 71, 299-314 (2010)
PDF

147. "Spin-state crossover of iron in lower mantle minerals: results of DFT+U investigations", H. Hsu, K. Umemoto, and R. M. Wentzcovitch, Reviews in Mineralogy & Geochemistry, 71, 169-199 (2010)
PDF

146. "First principles quasiharmonic thermoelasticity of mantle minerals", R. M. Wentzcovitch, Z. Wu, and P Carrier, Reviews in Mineralogy & Geochemistry, 71, 99-128 (2010)
PDF

145. "Thermodynamic properties and phase relations in mantle minerals investigated by first priniciples quasiharmonic theory", R. M. Wentzcovitch, Y. Yu, and Z. Wu, Reviews in Mineralogy & Geochemistry, 71, 59-98 (2010)
PDF

144. "Body-Centered Tetragonal C-4: A Viable sp(3) Carbon Allotrope", K. Umemoto, R. M. Wentzcovitch, S. Saito, and T. Miyaki, Phys. Rev. Lett., 104, 125504(4) (2010). DOI: 10.1103/PhysRevLett.104.125504
PDF

143. "Spin states and hyperfine interactions of iron in (Mg,Fe)SiO3 perovskite under pressure", H. Hsu, K. Umemoto, R. M. Wentzcovitch, and P. Blaha,Earth Planet. Sc. Lett.,294, 19-26 (2010). DOI: 10.1016/j.epsl.2010.02.031
PDF

142. "First principles study of thermodynamics and phase transition in low-pressure (P2(1)/c) and high-pressure (C2/c) clinoenstatite MgSiO3", Y. Yu, R. M. Wentzcovitch, and R. Angel, J. Geophys. Res., 115, B02201 (2010). DOI:10.1029/2009JB006329
PDF

141. "Dynamical consequences in the lower mantle with the post-perovskite phase change and strongly depth-dependent thermodynamic and transport properties", Tosi N, Yuen DA, Cadek O, Earth and Planetary Science Letters, 0012-821X (2010) DOI: 10.1016/j.epsl.2010.08.001
PDF

140. "Ubiquitous interactive visualization of large-scale simulations in geosciences over a Java-based web-portal", McLane JC, Czech WW, Yuen DA, Knox MR, Wang S, Greensky JBS, Sevre EOD, Concurrency and Computation-Practice & Experience, 1532-0626 (2010) DOI: 10.1002/cpe.1532
PDF

139. "Geodynamical modeling and multiscale seismic expression of thermo-chemical heterogeneity and phase transitions in the lowermost mantle", van den Berg AP, De Hoop MV, Yuen DA, Duchkov A, van der Hilst RD, Jacobs MHG, Physics of THE Earth and Planetary Interiors, 0031-9201 (2010) DOI: 10.1016/j.pepi.2010.02.008
PDF

138. "Implications of post-perovskite transport properties for core-mantle dynamics", Cizkova H, Cadek O, Matyska C, Yuen DA, Physics of THE Earth and Planetary Interiors, 0031-9201 (2010) DOI: 10.1016/j.pepi.2009.08.008
PDF

137. "A hybrid radial basis function-pseudospectral method for thermal convection in a 3-D spherical shell", Wright GB, Flyer N, Yuen DA, Geochemistry Geophysics Geosystems, 1525-2027 (2010) DOI: 10.1029/2009GC002985
PDF

136. "Modeling of tsunami waves and atmospheric swirling flows with graphics processing unit (GPU) and radial basis functions (RBF)", Schmidt J, Piret C, Zhang N, Kadlec BJ, Yuen DA, Liu YC, Wright GB, Sevre EOD, Concurrency and Computation-Practice & Experience, 1532-0626 (2010) DOI: 10.1002/cpe.1507
PDF

135. "The dynamical impact of electronic thermal conductivity on deep mantle convection of exosolar planets", van den Berg AP, Yuen DA, Beebe GL, Christiansen MD, Physics of THE Earth and Planetary Interiors, 0031-9201 (2010) DOI: 10.1016/j.pepi.2009.11.001
PDF

134. "The fate of the slabs interacting with a density/viscosity hill in the mid-mantle", Morra G, Yuen DA, Boschi L, Chatelain P, Koumoutsakos P, Tackley PJ, Physics of The Earth and Planetary Interiors, 0031-9201 (2010) DOI: 10.1016/j.pepi.2010.04.001
PDF

133. "Seismic imaging of the D" and constraints on the core heat flux", Monnereau M, Yuen DA, Physics of THE Earth and Planetary Interiors, 0031-9201 (2010) DOI: 10.1016/j.pepi.2009.12.005
PDF

2009

132. "Low-pressure clino- to high-pressure clinoenstatite phase transition: A phonon-related mechanism", Y. Yu and R. M. Wentzcovitch, Amer. Mineral., 94, 461 (2009). DOI: 10.2138/am.2009.3071
PDF

131. "Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials", P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, and R. M. Wentzcovitch, J. Phys.: Condens. Matter, 21, 395502 (2009). DOI: 10.1088/0953-8984/21/39/395502
PDF

130. "Anomalous thermodynamics properties of ferropericlase throughout its spin crossover", Z. Wu, J. F. Justo, C. R. S. da Silva, S. de Gironcoli, and R. M. Wentzcovitch, Phys. Rev. B., 80, 014409 (2009). DOI: 10.1103/PhysRevB.80.014409.
PDF

129. "First principles study of low-spin LaCoO3 with structurally consistent Hubbard U", H. Hsu, K. Umemoto, M. Cococcioni, and R. M. Wentzcovitch, Phys. Rev. B., 79, 125124 (2009). DOI: 10.1103/PhysRevB.79.125124.
PDF

128. "An effective semi-empirical ansatz for computing anharmonic free energies", Z. Wu. and R. M. Wentzcovitch, Phys. Rev. B., 79, 104304 (2009). DOI: 10.1103/PhysRevB.79.104304.
PDF

127. "Anomalous compressibility of ferropericlase throughout the iron spin crossover", R. M. Wentzcovitch, J. F. Justo, Z. Wu, C. R. S. da Silva, D. Yuen, and D. Kohlstedt,Proc. Natl, Acad. Sc., 106, 8447 (2009). DOI: 10.1073/pnas.0812150106.
PDF

126. "Comparison of linear and nonlinear shallow wave water equations applied to tsunami waves over the China Sea", Liu YC, Shi YL, Yuen DA, Sevre EOD, Yuan XR, Xing HL, Acta Geotechnica, 1861-1125 (2009) DOI: 10.1007/s11440-008-0073-0
PDF

125. "Is the long-wavelength geoid sensitive to the presence of postperovskite above the core-mantle boundary?", Tosi N, Cadek O, Martinec Z, Yuen DA, Kaufmann G, Geophysical Research Letters, 0094-8276 (2009) DOI: 10.1029/2008GL036902
PDF

124. "Lithospheric stress-states predicted from long-term tectonic models: Influence of rheology and possible application to Taiwan", Kaus BJP (Kaus, Boris J. P.)1,3, Liu YC (Liu, Yingchun)2, Becker TW (Becker, T. W.)3, Yuen DA, Shi YL, Journal of Asian Earth Sciences, 1367-9120 (2009) DOI: 10.1016/j.jseaes.2009.04.004
PDF

123. "Landslides, Ice Quakes, Earthquakes: A Thermodynamic Approach to Surface Instabilities", Regenauer-Lieb K, Yuen DA, Fusseis F, Earth and Environmental Science, 0033-4553 (2009) DOI: 10.1007/s00024-009-0520-3
PDF

122. "A 3-D model of tumor progression based on complex automata driven by particle dynamics", Wcislo R, Dzwinel W, Yuen DA, Dudek AZ, Journal of Molecular Modeling, 1610-2940 (2009) DOI: 10.1007/s00894-009-0511-4
PDF

121. "Three-dimensional dynamics of hydrous thermal-chemical plumes in oceanic subduction zones", Zhu GZ, Gerya TV, Yuen DA, Honda S, Yoshida T, Connolly JAD, Geochemistryeochemistry GeophysicsGeophysics GeosystemsGeosystems, DOI: 10.1029/2009GC002625
PDF

2008

120. "Quasiharmonic elastic constants corrected for deviatoric thermal stresses", P. Carrier, J. F. Justo, and R. M. Wentzcovitch, Phys. Rev. B., 78, 144302 (2008). DOI: 10.1103/PhysRevB.78.144302.
PDF

119."The role of water in connecting past and future episodes of subduction", S. van der Lee, K. Regenauer-Lieb, and Yuen DA, Earth and Planet. Sci. Lett., 273(1-2), 15-27 (2008). DOI: doi:10.1016/j.epsl.2008.04.041
PDF

118. "Low-pressure clino- to high-pressure clino-enstatite phase transition: a phonon related mechanism", Y. Yu and R. M. Wentzcovitch, Amer. Mineral., 93, 477 (2008). DOI: 10.2138/am.2009.3071.
PDF

117. "Vibrational properties of δ-AlOOH under pressure", J. Tsuchiya, T. Tsuchiya, Renata M. Wentzcovitch, Am. Mineral., 93, 477 (2008). DOI: 10.2138/am.2008.2627.
PDF

116. "Prediction of a U2S3-type polymorph in alumina at 3.7 Mbar", K. Umemoto, Renata M. Wentzcovitch, Proc. Natl, Acad. Sc. USA, 105, 6526-6530 (2008). DOI: 10.1073_pnas.0711925105.
PDF

115. "Lattice dynamics and thermal equation of state of platinum", T. Sun, K. Umemoto, A. Wu, J.-C. Zheng, Renata M. Wentzcovitch, Phys. Rev. B, 78, 024304 (2008). DOI: 10.1103/PhysRevB.78.024304.
PDF

114. "Spin transition in (Mg,Fe)SiO3 perovskite under pressure", K. Umemoto, Renata M. Wentzcovitch, Y. Yu, R. Requist, Earth & Planet Sc. Lett., 276(1-2), 198-206(2008).
PDF

113. "Al Nanoparticles: Accurate Potential Energy Functions and Physical Properties," chapter 10 in Multiscale Simulation Methods for Nanomaterials, Nathan E. Schultz, Ahren W. Jasper, Divesh Bhatt, Ilja Siepmann, and Donald G. Truhlar, (R.B. Ross and S. Mohanty, eds), Wiley, 169-188 (2008). ISBN: 978-0-470-10528-3
PDF

112. "α↔β↔γ phase transformations in Mg2SiO4 in Earth’s transition zone", Y. Yu, Z. Wu, Renata M. Wentzcovitch, Earth Planet. Sci. Lett., 273, 115-122 (2008). DOI: 10.1016/j.epsl.2008.06.023.
PDF

111. "P-V-T relations in MgO: an ultrahigh P-T scale for planetary sciences applications", Z. Wu, Renata M. Wentzcovitch, K. Umemoto, B. Li, and K. Hirose, J. Geophys. Res., 113, B06204 (2008).
PDF

110. "Metadata Management for Distributed First Principles Calculations in VLab - A Collaborative Cyberinfrastructure for Materials Computation", Pedro R. C. da Silveira, Cesar R. S. da Silva and Renata M. Wentzcovitch, Comp. Phys. Commun. (2008). DOI: 10.1016/j.cpc.2007.09.001.
PDF 

109. "The M06 Suite of Density Functionals for Main GroupThermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals", Y. Zhao and D. G. Truhlar, Theor. Chem. Acc, 120, 215-241 (2008). (Contribution to the Mark S. Gordon 65th Birthday Festschrift Issue). Erratum: 119, 525 (2008).
PDF

108. "Assessment of the Accuracy of Density Functionals for the Prediction of the Relative Energies and Geometries of Low Lying Isomers of Water Hexamers", E. E. Dahlke, R. M. Olson, H. R. Leverentz, and D. G. Truhlar, J. Phys. Chem., 112, 3976-3984 (2008).
PDF

107. "Electrostatically Embedded Many Body Expansion for Simulations", E. E. Dahlke, and D. G. Truhlar, J. Chem. Theor. Comput, 4, 1-6 (2008).
PDF

106. "Density Functional Theory in Transition-Metal Chemistry: Relative Energies of Low-Lying States of Iron Compounds and the Effect of Spatial Symmetry Breaking", A. Sorkin, M. A. Iron, and D. G. Truhlar, J. Chem. Theor. Comput, 4, 307-315 (2008).
PDF

105. "Application of the Electrostatically Embedded Many-Body Expansion to Microsolvation of Ammonia in Water Clusters", A. Sorkin, E. E. Dahlke, and D. G. Truhlar, 4, 683-688 (2008).
PDF

104. "Why is terrestrial subduction one-sided?", T. Gerya, J. Connolly, and D. A. Yuen, Geology, 36, (2008). DOI: 10.1130/G240 60A.
PDF

103. "Role of Korteweg stresses in geodynamics", G. Morra, and D. A. Yuen, Geophys. Res. Lett., 35, L07304 (2008). DOI: 10.1029/2007GL032860.
PDF

102. "Computation of large invariant subspaces using polynomial filtered Lanczos iterations with applications in density functional theory", C. Bekas, E. Kokiopoulou, and Yousef Saad, SIAM Journal on matrix Analysis and applications, 30, 397-418 (2008).
PDF

101. "Turbo charging time-dependent density-functional theory with Lanczos chains", D. Rocca, Ralph Gebauer, Yousef Saad, and Stefano Baroni, J. Chem. Phys., 128, 154105 (2008), DOI:10.1063/1.2899649.
PDF

100. "Infrared Optical Properties of Ferropericlase (Mg1-xFexO): Experiment and Theory", T. Sun, P. B. Allen, D. G. Stahnke, S. D. Jacobsen, and C. C. Homes, Phys. Rev. B, 77, 134303:1-7 (2008).
PDF

99. "Transport properties of low-sanidine single-crystals, glasses and melts at high temperature", M. Pertermann, A.G. Whittington, A.M. Hofmeister, F. Spera, and J. Zayak, Contributions to Mineralogy and Petrology, 155:689-702 (2008).
PDF

98. "Phase equilibria trigger for explosive volcanic eruptions", S. J. Fowler, and F. Spera, GRL, 35, L08309 (2008). DOI: 10.1029/2008GL033665.
PDF

2007

97."Vibrational and thermodynamic properties of wadsleyite: A density functional study", Z.Wu and Renata M. Wentzcovitch, J. Geophys. Res., 112(B12), B12202 (2007). DOI: 10.1029/2007JB005036
PDF

96. "Virtual Laboratory for Planetary Materials: System Service Architecture Overview", Cesar R. S. da Silva, P. R. C. da Silveira, B. B. Karki, Renata M. Wentzcovitch, P. A. Jensen, E. F. Bollig, M. Pierce, Gordon Erlebacher, David A. Yuen, Phys. Earth Planet. Int. - Special Issue: Computational Challenges, 163, 321-332 (2007). DOI: 10.1016/j.pepi.2007.04.018.
PDF

95. "Thermodynamic properties and stability of MgSiO3 post-perovskite", Renata M. Wentzcovitch, T. Tsuchiya, J. Tsuchiya, K. Umemoto, in Post-Perovskite: The Last Mantle Phase Transition, Geophysical Monograph Series, vol 174, 79-97 (K. Hirose, J. Brodholt, T. Lay and David A. Yuen, eds.). American Geophysical Union, Washington, DC (2007). DOI: 10.1029/174GM08.

94. "Composition controlled spin polarization in Co1-xFexS2 alloys: A review", C. Leighton, A. Cady, J.W. Freeland, M. Manno, L. Wang, K. Umemoto, Renata M. Wentzcovitch, T.Y. Chen, C.L. Chien, P.L. Kuhns, M.J.R. Hoch, A.P. Reyes, W.G. Moulton, E.D. Dahlberg, J. Checkelsky, and J. Eckert, J. Phys. Cond. Mat. 19(31), 315219 (2007). DOI: 10.1088/0953-8984/19/31/315219.
PDF

93. "Vibrational and thermodynamic properties of forsterite at mantle conditions", Li Li, Renata M. Wentzcovitch, D. Weidner, C. R. S. da Silva, J. Geophys. Res., 112, B05206 (2007). DOI: 10.1029/2006JB004546. Includes "Correction to 'Vibrational and thermodynamic properties of forsterite at mantle conditions'", J. Geophys. Res., 113, B04206 (2008). DOI:10.1029/2007JB005532.
PDF

92. "Electronic spin transition of iron in Earth's deep mantle", J.-F. Lin, S. Jacobsen, Renata M. Wentzcovitch, EOS, Transactions, AGU, 88(1) 13 (2007).
PDF

91.. "Application of the TraPPE Force Field to Predicting Isothermal Pressure-Volume Curves at High Pressures and High Temperatures," Becky L. Eggimann, J. Ilja Siepmann, and Laurence E. Fried, International Journal of Thermophysics (2007). DOI: 10.1007/s10765-007-0208-9.
PDF

90.. "Post-perovskite MgSiO3 investigated by first principles", T. Tsuchiya, J. Tsuchiya, Renata M. Wentzcovitch, (Invited review), chapter 4 in "Superplumes: Beyond Plate Tectonics", ed. David A. Yuen , S. Maruyama, S.-I. Karato, and B. Windley, Kluwer Press, ISBN: 978-1-4020-5749-6 (2007).
PDF

89. "First principles investigation of the postspinel transition in Mg2SiO4",
Y. Yu, Renata M. Wentzcovitch, T. Tsuchiya, K. Umemoto, D. Weidner, Geophys. Res. Lett. 34, L10306 (2007). DOI: 10.1029/2007GL029462.
PDF

88. "Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water Clusters", E. E. Dahlke and D. G. Truhlar, J. Chem. Theor. Comput., 3, 46-53 (2007).
PDF

87. "Computational Requirements for Simulating the Structures and Proton Activity of Silicaceous Materials", Y. Zhang, Z. H. Li, and D. G. Truhlar, J. Chem. Theor. Comput., 3, 593-604 (2007).
PDF

86. "Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Moller-Plesset Perturbation Theory Energies for Large Water Clusters", E. E. Dahlke and D. G. Truhlar, J. Chem. Theor. Comput., 3, 1342-1348 (2007).
PDF

85. "Free Energies of Formation of Metal Clusters and Nanoparticles from Molecular Simulations: Aln with n = 2-60", Z. H. Li, D. Bhatt, N. E. Schultz, Ilja Siepmann, and D. G. Truhlar, J. Phys. Chem., 111, 16227-16242 (2007).
PDF

84. "Spatial correlation of dipole fluctuations in liquid water", M.J. McGrath, J.I. Siepmann, I-F.W. Kuo, and C.J. Mundy, Mol. Phys., 105, 1411-1417 (2007).
PDF

83."Visualization of high dynamic range data in geosciences", X. Yuan, Y. Liu, B. Chen, D. A. Yuen and T. Pergler, Phys. Earth Planet. Inter., 163, 312-320 (2007).
PDF

82."Growth and mixing dynamics of mantle wedge plumes", W. Gorczyk, T. V. Gerya, J.A.D. Connolly, and D. A. Yuen, Geology, 35, 587-590 (2007). DOI:10.1130/G23485A.1.(2007).
PDF

81."VLAB: Web services, portlets, and workflows for enabling cyber-infrastructure in computational mineral physics", E. F. Bollig, P. A. Jensen, M. D. Lyness, M. A. Nacar, P. R.C. da Silveira, D. Kigelman, G. Erlebacher, M. Pierce, D. A. Yuen, and C. R.S. da Silva, Phys. Earth Planet. Inter., 163, 333-346 (2007).
PDF

80."Visualization of downwellings in 3-D spherical mantle convection", S.M. Wang, S. Zhang, and D. A. Yuen, Phys Earth Planet. Inter., 163, 299-304 (2007).
PDF

79."Topology of the postperovskite phase transition and mantle dynamics", M. Monnereau and D. A. Yuen, Proc. National Academy of Sciences, 104, 9156 -9161 (2007).
PDF

78."Tsunami hazards along Chinese coast from potential earthquakes in South China Sea", Y. Liu, A. Santos, S. M. Wang, Y. Shi, H. Liu, H. and D. A. Yuen, Phys Earth Planet. Inter., 163, 233-244 (2007).
PDF

77."Small-scale convection in the upper-mantle beneath the Chinese Tien Shan Mountains", J. Liu, Q.-Y. Liu, B. Guo, D. A. Yuen and H.-Z. Song, Phys Earth Planet. Inter., 163, 179-190 (2007).
PDF

76."Preface to Computational Challenges in the Earth Sciences", D. A. Yuen and H. Zhang, Phys. Earth Planet. Inter., 163, 1 (2007).
PDF

75."Toward an automatic parallel computing environment for geosciences", H. Zhang, M. Liu, Y. Shi, D. A. Yuen, Z. Yan, and G. Liang, Phys. Earth Planet. Inter., 163, 2-22 (2007).
PDF

74."Robust characteristics method for modeling multiphase visco-lelasto-plastic thermal-mechanical problems", T.V. Gerya, and D. A. Yuen, Phys. Earth Planet. Inter., 163, 83-105 (2007).
PDF

73."Visualization of wavelet compressed mantle convection data", B.J., Kadlec, D. E. Goldstein, D. A. Yuen and A. Vezolainen, Phys. Earth Planet. Inter., 163, 292-298 (2007).
PDF

72."Computational Challenges in the Earth Sciences", D. A. Yuen, Physics Earth Planetary Inter., 163, 360 pages, 2007.
PDF

71."Accurate computation of shear viscosity from equilibrium molecular dynamics simulations", D. Nevins and F. Spera, Molecular Simulation, 33, 1261-1266 (2007).
PDF

70."Partitioning of trace elements among coexisting crystals, melt, and supercritical fluid during isobaric crystallization and melting", F. Spera, W. A. Bohrson, C. B. Till and M. Ghiorso, American Mineralogist, 92, 1881-1898 (2007).
PDF

69."The Open Grid Computing Environments collaboration: portlets and services for science gateways. Concurrency and Computation:Practice and Experience", J. Alameda, M. Christie, G. Fox, J. Futrelle, D. Gannon, M. Hategan, G. Kandaswamy, G. von Laszewski, M. A. Nacar, M. Pierce, E. Roberts, C. Severance, M. Thomas, 19, 921-942 (2007).
PDF

68.. "VLab: Collaborative Grid Services and Portals to Support Computational Material Science," Mehmet Nacar, Mehmet Aktas, Marlon Pierce, Zhenyu Lu, Gordon Erlebacher, Dan Kigelman, Evan F. Bollig, Cesar De Silva, Benny Sowell, and David A. Yuen , Concurrency and Computation: Practice and Experience 19(12), 1717-1728 (2007). DOI: 10.1002/cpe.1199.
PDF

67. "Adaptive Wavelets for Analyzing Dispersive Seismic Waves" A. Kritski, A. P. Vincent, David A. Yuen , and T. Carlsen, Geophysics 72, 1-11 (2007). DOI: 10.1190/1.2374799.
PDF

66. "Phase Equilibria Constraints on the Chemical and Physical Evolution of the Campanian Ignimbrite", S. Fowler, F. Spera, W. Bohrson, H. Belkin, B. De Vivo, Journal of Petrology 48(3), 459-493 (2007). DOI: 10.1093/petrology/egl068.
PDF

65. "Critical phenomena in thermal conductivity: Implications for lower mantle dynamics", Anne M. Hofmeister and D. A. Yuen, Journal of Geodynamics 44(3-5), 186-199 (2007). DOI: 10.1016/j.jog.2007.03.002

64. "Dynamics of Superplumes in the Lower Mantle", D. A. Yuen, Marc Monnereau, Ulrich Hansen, Masanori Kameyama, and Ctirad Matyska, (D. A. Yuen, S. Maruyama, S. Karato, and B. F. Windley, Ed.), Superplumes: Beyond Plate Tectonics, Springer. pp. 239-267 (2007). ISBN: 978-1-4020-5749-6 (Print) 978-1-4020-5750-2 (Online)
PDF


2006


63. “Unsolved problems in the lowermost mantle”, K. Hirose, S. Karato, V.F. Cormier, J.P. Brodholt, and David A. Yuen, Geophys. Res. Lett. 33(12) L12S01 (2006). DOI: 10.1029/2006GL025691.
PDF

62. "MgSiO3 postperovskite at D conditions", Renata M. Wentzcovitch, T. Tsuchiya, J. Tsuchiya, Proc. Natl. Acad. Sc., 103, 543-546 (2006). DOI: 10.1073_pnas.0506879103.
PDF

61. "Spin transition in Magnesiowustite in Earth's lower mantle", T. Tsuchiya, Renata M. Wentzcovitch, S. de Gironcoli, Phys. Rev. Lett., 96, 198501 (2006). DOI: 10.1103/PhysRevLett.96.198501.
PDF

60. "Pressure induced high spin to low spin transition in magnesiumwüstite", T. Tsuchiya, Renata M. Wentzcovitch, C. R. S. da Silva, S. de Gironcoli, and J. Tsuchiya, Proceedings of the Workshop on "Electronic Materials and Molecular Electronics", Physica Status Solidi (c) 243, 2111 (2006). DOI: 10.1002/pssb.200666814.
PDF

59."Dissociation of MgSiO3 in the cores of gas giants and terrestrial exoplanets", K. Umemoto, Renata M. Wentzcovitch, and Philip B. Allen, Science, 311, 983 (2006). DOI:10.1126/science.1120865.
PDF

58. "NaMgF3: a low pressure analog of MgSiO3", K. Umemoto, Renata M. Wentzcovitch, J. Parise, and D. Weidner, Geophys. Res. Lett., 33, L15304 (2006). DOI:10.1029/2006GL026348.
PDF

57. "Potential novel ultrahigh pressure polymorphs of ABX3-type compounds", K. Umemoto and Renata M. Wentzcovitch, Phys. Rev. B 74, 224105(2006). DOI: 10.1103/PhysRevB.74.224105.
PDF

56. "Assessment of the Pairwise Additive Approximation and Evaluation of Many-Body Terms for Water Clusters," Erin E. Dahlke and Donald G. Truhlar, Journal of Physical Chemistry B, 110, 10595 (2006). DOI: 10.1021/jp061039e.
PDF

55. "Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions," Yan Zhao, Nathan E. Schultz, and Donald G. Truhlar, Journal of Chemical Theory and Computation, 2, 364 (2006). DOI: 10.1021/ct0502763.
PDF

54. "Simulating Fluid Phase Equilibria of Water From First Principles", Matthew J. McGrath, J. Ilja Siepmann, I-Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Jürg Hutter, Fawzi Mohamed, and Matthias Krack, Journal of Physical Chemistry A, 110, 640 (2006). DOI: 10.1021/jp0535947.
PDF

53. "Time-Dependent Properties of Liquid Water: A Comparison of Car-Parrinello and Born-Oppenheimer Molecular Dynamics Simulations," I-Feng W. Kuo, Christopher J. Mundy, Matthew J. McGrath, and J. Ilja Siepmann, Journal of Chemical Theory and Computation, 2(5), 1274-1281 (2006). DOI: 10.1021/ct6001913.
PDF

52. "Critical Properties of Aluminum," Divesh Bhatt, Ahren W. Jasper, Nathan E. Schultz, J. Ilja Siepmann, and Donald G. Truhlar, Journal of the American Chemical Society, 128, 4224 (2006). DOI: 10.1021/ja0577950.
PDF

51. "Vapor-Liquid Equilibria of Water from First Principles: Comparison of Density Functionals and Basis Sets," M. J. McGrath, J.Ilja Siepmann, I-F. W. Kuo, and C. J. Mundy, Molecular Physics, 104(22-24), 3619-3626 (2006). DOI: 10.1080/00268970601014781.
PDF

50. "Phase Behavior of Elemental Aluminum using Monte Carlo Simulations," Divesh Bhatt, Nathan E. Schultz, Ahren W. Jasper, J. Ilja Siepmann , and Donald G. Truhlar, J. Phys. Chem. B 110, 26135-26142 (2006). DOI: 10.1021/jp064169w.
PDF

49. "Visualization of Atomistic Simulation Data for Spatio-Temporal Information," Dipesh Bhattarai and Bijaya B. Karki, the 14th International Conference on Central Europe in Computer Graphics, Visualization and Computer Vision, WSCG2006 Short Papers Proceedings, ISBN 80-86943-05-4, p. 17 (2006).
PDF

48. "Space-Time Multiresolution Atomistic Visualization of MgO and MgSiO3 Liquid Data," Dipesh Bhattarai, Bijaya B. Karki, and Lars Stixrude, Visual Geosciences, 11, 1-11 (2006). DOI: 10.1007/s10069-006-0003-y.
PDF

47. "A Systematic Approach to Multiple Datasets Visualization of Scalar Volume Data," Gaurav Khanduja and Bijaya B. Karki, Proceedings of International Conference on Computer Graphics Theory and Applications (GRAPP'06), p. 59-66 (2006).
PDF

46. "A Web-Based Visualization and Reposition Scheme for Scientific Data," R. Ananthuni, Bijaya B. Karki, E. F. Bollig, C. R. S. Da Silva, and Gordon Erlebacher, Proceedings of the 2006 International Conference on Modeling Simulation and Visualization Methods (MSV'06) 311-317 (2006).
PDF

45. "3-D convection studies on the thermal state in the lower mantle with post-perovskite phase transition", Masanori Kameyama, David A. Yuen, Geophys. Res. Lett. 33, L12S10  (2006). DOI:10.1029/2006GL025744.
PDF

44. "Visualization and Analysis of Multi-terabyte Geophysical Datasets in an Interactive Setting With Remote Webcam Capabilities," Benjamin J. Kadlec, David A. Yuen , and Gordon Erlebacher, Pure and Applied Geophysics 163(11-12), 2455-2465 (2006). DOI: 10.1007/s00024-006-0132-0.
PDF

43. "From Point Defects to Plate Tectonic Faults,"Klaus Regenauer-Lieb, Bruce Hobbs, David A. Yuen, Alison Ord, Yanhua Zhang, Hans B. Mulhaus, and Gabriele Morra, Phil. Mag. 86(21-22), 3373-3392 (2006). DOI: 10.1080/14786430500375159
PDF

42. "The Influences of Temperature-dependent Viscosity and Radiative Thermal Conductivity on Lower Mantle Dynamics With the Post-Perovskite Phase Change," Ctirad Matyska and David A. Yuen, Phys. Earth Planet. Inter. 154(2), 196-207 (2006). DOI: 10.1016/j.pepi.2005.10.001
PDF

41. "Clustering and Visualization of Earthquake Data in a Grid Environment," David A. Yuen , Benjamin J. Kadlec, Evan F. Bollig, Witold Dzwinel, Zachary A. Garbow and Cesar da Silva, Visual Geosciences 10, 1-12 (2006). DOI: 10.1007/s10069-005-0023-z.
PDF

40. "Long-Term Volumetric Eruption Rates and Magma Budgets", S. White, J. Crisp, F. Spera, Geochemistry, Geophysics Geosystems 7(3), Q03010 (2006). DOI: 10.1029/2005GC001002.
PDF

39. "Petrogenesis of the Campanian Ignimbrite: Implications for Crystal-Melt Separation and Open-System Processes from Major and Trace Elements and Th Isotopic Data", chapter 13 in Volcanism in the Campania Plain: Vesuvius, Campi Flegrei and Ignimbrites, W. Bohrson, F. Spera, S. Fowler, H. Belkin, B. De Vivo, G. Rolandi, (De Vivo B., Ed), Elsevier Press, Developments in Volcanology, vol 9, (2006). ISBN-13: 978-0-444-52175-0, ISBN-10: 0-444-52175-5
PDF

38. "Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy,"Brent Walker, A. Marco Saitta, Ralph Gebauer, and Stefano Baroni, Phys. Rev. B 96, 113001 (2006). DOI: 10.1103/PhysRevLett.96.113001.
PDF

37. "Theoretical determination of potential structures of CaSiO3 perovskite", R. Caracas and Renata M. Wentzcovitch, Acta Cryst. B 62(6),1025-1030 (2006). DOI: 10.1107/S0108768106035762.
PDF

36. "Density functional study of vibrational and thermodynamic properties of ringwoodite", Y. Yu and Renata M. Wentzcovitch, J. Geophys. Res., 111, B12202 (2006). DOI: 10.1029/2006JB004282.
PDF

35. "Efficient Adjoint Sensitivity Analysis for Flow and Transport in the Earth's Crust and Mantle," C. A. Hier Majumder, B. J. Travis, E. Bélanger, G. Richard, A. P. Vincent, and David A. Yuen , Geophysical Journal International 166, 907-922 (2006). DOI: 10.1111/j.1365-246X.2006.02926.x.
PDF

34. "Tradeoffs in Chemical and Thermal Variations in the Post-perovskite Phase Transition: Mixed Phase Regions in the Deep Lower Mantle," F. Spera, David A. Yuen, and Grace Giles, Phys. Earth Planet. Interiors 159, 234-246(2006). DOI: 10.1016/j.pepi.2006.07.007.
PDF

33. "Quartz Rheology and Short-timescale Crustal Instabilities," Klaus Regenauer-Lieb and David A. Yuen, Pure and Applied Geophysics 163, 1915-1932(2006). DOI: 10.1007/s00024-006-0104-4.
PDF

32. "A Grid Framework for Visualization Services in the Earth Sciences," Gordon Erlebacher, David A. Yuen, Z. Lu, E. F. Bollig, Marlon Pierce, and S. Pallickara, Pure and Applied Geophysics 163, 2467-2483(2006). DOI: 10.1007/s00024-006-0146-7.
PDF

31. "A Visualization System for Mineral Elasticity," Bijaya B. Karki and Ravi Chennamsetty, Visual Geosciences 9,49-57 Springer-Verlag, ISSN 1610-2924, 2006. DOI 10.1007/s10069-004-0020-7.
PDF

30."Electronic structure of Co1-xFexS2", K. Umemoto, Renata M. Wentzcovitch, L. Wang, and C. Leighton, Phys. Stat. Sol. (b), 243, 2117 (2006). DOI: 10.1002/pssb.200666821.
PDF

29."Theory of spintronic materials", J. R. Chelikowsky, T. Kaxiras, and Renata M. Wentzcovitch, Phys. Stat. Sol. (b), 243, 2133 (2006). DOI: 10.1002/pssb.200666817.
PDF

28. "Elasticity of CaSiO3 perovskite at high pressure and high temperature", L. Li, D. Weidner, J. Brodholt, D. Alfve, G. D. Price, R. Caracas, and Renata M. Wentzcovitch, Phys. Earth Planet. Int., 155, 249-259 (2006). DOI: 10.1016/j.pepi.2005.12.006.
PDF

27. "Phase stability of CaSiO3 perovskite at high pressure and high temperature: insights from ab initio molecular dynamics", L. Li, D. Weidner, J. Brodholt, D. Alfve', G. D. Price, and Renata M. Wentzcovitch, Phys. Earth Planet. Int., 155, 260-268 (2006). DOI: 10.1016/j.pepi.2005.12.007.
PDF

26."Theoretical investigation of the crystal structure of distorted CaSiO3 perovskite", R. Caracas and R. M. Wentzcovitch, Acta Crystallogr. B (Struct. Sci.), 62, 1025 (2006).
PDF

25."Vibrational and thermodynamic properties of Ringwoodite", Y. Yu and R. M. Wentzcovitch, J. Geophys. Res., 111, B12202 (2006).
PDF

24."Composition controlled spin polarization in Co1-xFexS2: Electronic, magnetic, and thermodynamic properties", L. Wang, K. Umemoto, R. M. Wentzcovitch, T.Y. Chen, C.L. Chien, J.G. Checkelsky, J.C. Eckert, E.D. Dahlberg, and C. Leighton Phys. Rev. B., 73, 144402 (2006).
PDF

23."A New Local Density Functional for Main Group Thermochemistry, Transition Metal Bonding, Thermochemical Kinetics, and Noncovalent Interactions", Y. Zhao and D. G. Truhlar, J. Chem. Phys., 125, 194101/1-18 (2006).
PDF

22."First principles Monte Carlo simulations of vapor-liquid phase equilibria: A comparison of different GGA functionals and of different Gaussian basis sets", M.J. McGrath, J.I. Siepmann, I-F.W. Kuo, C.J. Mundy, J. VandeVondele, J. Hutter, F. Mohamed, and M. Krack, Mol. Phys., 104, 3619-3626 (2006).
PDF

21. "Seismic implications of mantle wedge plumes", T. V. Gerya, J. A. D. Connolly, D. A. Yuen, W. Gorczyk, and A. M. Capel, Phys. Earth Planet. Inter., 156(1-2), 59-74 (2006). DOI: 10.1016/j.pepi.2006.02.005
PDF

2005


20. "Multidisciplinary impact of the Deep mantle phase transition in perovskite structure", T. Lay, D. Heinz, M. Ishii, S.-H. Shim, J. Tsuchiya, T. Tsuchiya, Renata M. Wentzcovitch, and David A. Yuen, Eos, 86, 1-5 (2005). DOI: 10.1029/2005EO01000.
PDF

19. "Vibrational and thermodynamic properties of MgSiO3 post-perovskite", J. Tsuchiya, T. Tsuchiya, and Renata M. Wentzcovitch, J. Geophys. Res., 110(B2), B02204/1-6 (2005). DOI: 10.1029/2004JB003409.
PDF

18. "CaSiO3 perovskite at lower mantle pressures", R. Caracas, Renata M. Wentzcovitch, G. D. Price, and J. Brodholt, Geophys. Res. Lett., 32, L06306, (2005). DOI: 10.1029/2004GL022144.
PDF

17. "Transition from Rh2O3(II) to CaIrO3-type structure and the high-pressure-temperature phase diagram of alumina", J. Tsuchiya, T. Tsuchiya, Renata M. Wentzcovitch, Phys. Rev. B. (Rap. Comm.) 72, 020103 (2005). DOI: 10.1103/PhysRevB.72.020103.
PDF

16. "Theoretical study of the isostructural transformation in ice VIII", K. Umemoto and Renata M. Wentzcovitch, Phys Rev. B. (Brief Report), 71, 012102/1-012102/3 (2005). DOI: 10.1103/PhysRevB.71.012102.
PDF

15. "Low to high density transformations in H2O-ice", Umemoto and Renata M. Wentzcovitch, Chem. Phys. Lett., 405(1-3), 53-57 (2005). DOI: 10.1016/j.cplett.2005.01.098.
PDF,

14. "Improved Density Functionals for Water," Erin E. Dahlke and Donald G. Truhlar, Journal of Physical Chemistry B, 109, 15677 (2005). DOI: 10.1021/jp052436c.
PDF

13. "Visualization of 3D Scientific Datasets Based on Interactive Clipping," Gaurav Khanduja and Bijaya B. Karki, Proceedings of the 13th International Conference on Central Europe in Computer Graphics, Visualization and Computer Vision, WSCG2005, ISBN 80-903100-9-5, p. 33 (2005).
PDF

12. "Efficient Adjoint Sensitivity Analysis for Flow and Transport in the Earth's Crust and Mantle," C. A. Hier Majumder, B. J. Travis, E. Bélanger, G. Richard, A. P. Vincent, and David A. Yuen, Geophysical Journal International 166, 907-922 (2006). DOI: 10.1111/j.1365-246X.2006.02926.x.
PDF

11. "Tradeoffs in Chemical and Thermal Variations in the Post-perovskite Phase Transition: Mixed Phase Regions in the Deep Lower Mantle," F. Spera, David A. Yuen, and Grace Giles, Phys. Earth Planet. Int. 159, 234-246 (2006). DOI:10.1016/j.pepi.2006.07.007.
PDF

10. "Shear-induced Material Transfer Across the Core-mantle Boundary Aided by the Post-perovskite Phase Transition," Nick Petford, David A. Yuen, Tracy Rushmer, John Brodholt, and Stephen Stackhouse, Earth Planets Space, 57, 459 (2005).
PDF

9. "Short Time-scale Heating of the Earth's Mantle by Ice-sheet Dynamics," Ladislav Hanyk, Ctirad Matyska, and David A. Yuen , Earth Planets Space, 57, 895 (2005).
PDF

8. "Co1-xFexS2: a tunable source of highly spin polarized electrons", L. Wang, K. Umemoto, Renata M. Wentzcovitch, T.Y. Chen, C.L. Chien, J.G. Checkelsky, J.C. Eckert, E.D. Dahlberg and C. Leighton, Phys. Rev. Lett, 94, 056602/1-4 (2005).
PDF

7. "Nonlinear Multidimensional Scaling and Visualization of Earthquake Clusters Over Space, Time and Feature Space," Witold Dzwinel, David A. Yuen, Krzysztof Boryczko, Yehuda Ben-Zion, Shoichi Yoshioka, and Takeo Ito, Nonlinear Processes in Geophysics, 12, 117 (2005).
PDF

2004


6. "Phase Transition in MgSiO3-perovskite: in the Earth's Lower Mantle", T. Tsuchiya, J. Tsuchiya, K. Umemoto, and Renata M. Wentzcovitch, Earth Planet. Sci. Lett, 224, 241-248 (2004).
PDF

5. "Thermoelastic properties of of MgSiO3-perovskite: insights on the nature of the Earth's lower mantle", Renata M. Wentzcovitch, B. B. Karki, M. Cococcioni, and S. de Gironcoli, Phys. Rev. Lett. 92, 018501 (2004). DOI: 10.1103/PhysRevLett.92.018501
PDF

4. "Anomalous pressure-induced transition(s) in ice XI", K. Umemoto, Renata M. Wentzcovitch, S. Baroni, and S. de Gironcoli, Phys. Rev. Lett., 92, 105502/1 (2004). DOI: 10.1103/PhysRevLett.92.105502
PDF

3."Amorphization in quenched ice VIII: A first-principles study", K. Umemoto and Renata M. Wentzcovitch, Phys. Rev. B, 69, 180103/1 (2004). DOI: 10.1103/PhysRevB.69.180103
PDF

2. "Equation of state and elasticity of FeSi", R. Caracas and Renata M. Wentzcovitch, Geophys. Res. Lett., 31, L20603, (2004). DOI: 10.1029/2004GL020601.
PDF

1. "Elasticity of post-perovskite MgSiO3"Taku Tsuchiya, Jun Tsuchiya, Koichiro Umemoto, and Renata M. Wentzcovitch, Geophys. Res. Lett., 31, L14603 (2004) DOI: 10.1029/2004GL020278.
PDF

Presentations


"Metadata Management for Distributed First Principles Calculations in VLab - A Collaborative Grid/Portal System for Geomaterials Computations", Pedro R.C. da Silveira, Cesar R.S. da Silva and Renata M. Wentzcovitch (2006).
PDF


sponsors | home | links | contact us