QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
27818 2009 : Peierls or Mott-Hubbard? A view from band theory RM Wentzcovitch, WW Schulz, PB Allen
Physical review letters 72 (21), 3389, 1994
850 1994 Phase transition in MgSiO3 perovskite in the earth's lower mantle T Tsuchiya, J Tsuchiya, K Umemoto, RM Wentzcovitch
Earth and Planetary Science Letters 224 (3-4), 241-248, 2004
578 2004 Atomic arrangement and electronic structure of N AY Liu, RM Wentzcovitch, ML Cohen
Physical Review B 39 (3), 1760, 1989
554 1989 Stability of carbon nitride solids AY Liu, RM Wentzcovitch
Physical Review B 50 (14), 10362, 1994
517 1994 Body-Centered Tetragonal : A Viable Carbon Allotrope K Umemoto, RM Wentzcovitch, S Saito, T Miyake
Physical review letters 104 (12), 125504, 2010
426 2010 Invariant molecular-dynamics approach to structural phase transitions RM Wentzcovitch
Physical Review B 44 (5), 2358, 1991
422 1991 Ab initio molecular dynamics with variable cell shape: Application to RM Wentzcovitch, JL Martins, GD Price
Physical Review Letters 70 (25), 3947, 1993
380 1993 Experimental and theoretical equation of state of cubic boron nitride E Knittle, RM Wentzcovitch, R Jeanloz, ML Cohen
Nature 337 (6205), 349-352, 1989
365 1989 Electronic and structural properties of BN and BP RM Wentzcovitch, KJ Chang, ML Cohen
Physical Review B 34 (2), 1071, 1986
365 1986 High-pressure lattice dynamics and thermoelasticity of MgO BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
348 2000 Spin transition in magnesiowüstite in Earth’s lower mantle T Tsuchiya, RM Wentzcovitch, CRS Da Silva, S De Gironcoli
Physical Review Letters 96 (19), 198501, 2006
314 2006 High‐pressure elastic properties of major materials of Earth's mantle from first principles BB Karki, L Stixrude, RM Wentzcovitch
Reviews of Geophysics 39 (4), 507-534, 2001
309 2001 Theoretical study of BN, BP, and BAs at high pressures RM Wentzcovitch, ML Cohen, PK Lam
Physical Review B 36 (11), 6058, 1987
269 1987 Thermoelastic Properties of -Perovskite: Insights on the Nature of the Earth’s Lower Mantle RM Wentzcovitch, BB Karki, M Cococcioni, S De Gironcoli
Physical review letters 92 (1), 018501, 2004
264 2004 Calculation of electronic and structural properties of D Tomanek, RM Wentzcovitch, SG Louie, ML Cohen
Physical review B 37 (6), 3134, 1988
218 1988 Energy versus free-energy conservation in first-principles molecular dynamics RM Wentzcovitch, JL Martins, PB Allen
Physical Review B 45 (19), 11372, 1992
216 1992 Ab initio study of MgSiO3 and CaSiO3 perovskites at lower-mantle pressures RM Wentzcovitch, NL Ross, GD Price
Physics of the Earth and Planetary Interiors 90 (1-2), 101-112, 1995
215 1995 MgSiO3 postperovskite at D″ conditions RM Wentzcovitch, T Tsuchiya, J Tsuchiya
Proceedings of the national academy of sciences 103 (3), 543-546, 2006
204 2006 An adaptive genetic algorithm for crystal structure prediction SQ Wu, M Ji, CZ Wang, MC Nguyen, X Zhao, K Umemoto, ...
Journal of Physics: Condensed Matter 26 (3), 035402, 2013
203 2013