| 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 | 27585 | 2009 |
| : Peierls or Mott-Hubbard? A view from band theory RM 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 | 574 | 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 | 347 | 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 | 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 | 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 | 214 | 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 |
