QUANTUM ESPRESSO: a modular and open-source software project for quantumsimulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
30986 2009 RM Wentzcovitch, WW Schulz, PB Allen
Physical review letters 72 (21), 3389, 1994
871 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
595 2004 Atomic arrangement and electronic structure of AY Liu, RM Wentzcovitch, ML Cohen
Physical Review B 39 (3), 1760, 1989
565 1989 Stability of carbon nitride solids AY Liu, RM Wentzcovitch
Physical Review B 50 (14), 10362, 1994
531 1994 Body-Centered Tetragonal K Umemoto, RM Wentzcovitch, S Saito, T Miyake
Physical review letters 104 (12), 125504, 2010
447 2010 Invariant molecular-dynamics approach to structural phase transitions RM Wentzcovitch
Physical Review B 44 (5), 2358, 1991
442 1991 Ab initio molecular dynamics with variable cell shape: Application to RM Wentzcovitch, JL Martins, GD Price
Physical Review Letters 70 (25), 3947, 1993
394 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 High-pressure lattice dynamics and thermoelasticity of MgO BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
365 2000 Electronic and structural properties of BN and BP RM Wentzcovitch, KJ Chang, ML Cohen
Physical Review B 34 (2), 1071, 1986
363 1986 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
331 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
323 2006 Thermoelastic Properties of RM Wentzcovitch, BB Karki, M Cococcioni, S De Gironcoli
Physical review letters 92 (1), 018501, 2004
271 2004 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 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
255 2020 DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ...
The Journal of Chemical Physics 159 (5), 2023
235 2023 Energy versus free-energy conservation in first-principles molecular dynamics RM Wentzcovitch, JL Martins, PB Allen
Physical Review B 45 (19), 11372, 1992
225 1992 Calculation of electronic and structural properties of D Tomanek, RM Wentzcovitch, SG Louie, ML Cohen
Physical review B 37 (6), 3134, 1988
223 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
220 2013 