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
27604 2009 : Peierls or Mott-Hubbard? A view from band theoryRM Wentzcovitch, WW Schulz, PB Allen
Physical review letters 72 (21), 3389, 1994
848 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
575 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
518 1994 Body-Centered Tetragonal : A Viable Carbon Allotrope K Umemoto, RM Wentzcovitch, S Saito, T Miyake
Physical review letters 104 (12), 125504, 2010
425 2010 Invariant molecular-dynamics approach to structural phase transitions RM Wentzcovitch
Physical Review B 44 (5), 2358, 1991
420 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 Electronic and structural properties of BN and BP RM Wentzcovitch, KJ Chang, ML Cohen
Physical Review B 34 (2), 1071, 1986
365 1986 Experimental and theoretical equation of state of cubic boron nitride E Knittle, RM Wentzcovitch, R Jeanloz, ML Cohen
Nature 337 (6205), 349-352, 1989
364 1989 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
312 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
270 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
263 2004 Calculation of electronic and structural properties of D Tomanek, RM Wentzcovitch, SG Louie, ML Cohen
Physical review B 37 (6), 3134, 1988
216 1988 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 Energy versus free-energy conservation in first-principles molecular dynamics RM Wentzcovitch, JL Martins, PB Allen
Physical Review B 45 (19), 11372, 1992
214 1992 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
201 2013