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
29807 2009 RM Wentzcovitch, WW Schulz, PB Allen
Physical review letters 72 (21), 3389, 1994
859 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
590 2004 Atomic arrangement and electronic structure of AY Liu, RM Wentzcovitch, ML Cohen
Physical Review B 39 (3), 1760, 1989
557 1989 Stability of carbon nitride solids AY Liu, RM Wentzcovitch
Physical Review B 50 (14), 10362, 1994
528 1994 Body-Centered Tetragonal K Umemoto, RM Wentzcovitch, S Saito, T Miyake
Physical review letters 104 (12), 125504, 2010
443 2010 Invariant molecular-dynamics approach to structural phase transitions RM Wentzcovitch
Physical Review B 44 (5), 2358, 1991
434 1991 Ab initio molecular dynamics with variable cell shape: Application to RM Wentzcovitch, JL Martins, GD Price
Physical Review Letters 70 (25), 3947, 1993
387 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
376 1989 Electronic and structural properties of BN and BP RM Wentzcovitch, KJ Chang, ML Cohen
Physical Review B 34 (2), 1071, 1986
366 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
357 2000 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
325 2001 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
317 2006 Thermoelastic Properties of RM Wentzcovitch, BB Karki, M Cococcioni, S De Gironcoli
Physical review letters 92 (1), 018501, 2004
272 2004 Theoretical study of BN, BP, and BAs at high pressures RM Wentzcovitch, ML Cohen, PK Lam
Physical Review B 36 (11), 6058, 1987
271 1987 Toward an international practical pressure scale: A proposal for an IPPS ruby gauge (IPPS-Ruby2020) G Shen, Y Wang, A Dewaele, C Wu, DE Fratanduono, J Eggert, S Klotz, ...
High Pressure Research 40 (3), 299-314, 2020
231 2020 Energy versus free-energy conservation in first-principles molecular dynamics RM Wentzcovitch, JL Martins, PB Allen
Physical Review B 45 (19), 11372, 1992
220 1992 Calculation of electronic and structural properties of D Tomanek, RM Wentzcovitch, SG Louie, ML Cohen
Physical review B 37 (6), 3134, 1988
220 1988 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
218 2013 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
212 1995 