Renata Wentzcovitch
Renata Wentzcovitch
Department of Chemical Engineering and Materials Science, University of Minnesota
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Hivatkozott rá
Hivatkozott rá
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
VO 2: Peierls or Mott-Hubbard? A view from band theory
RM Wentzcovitch, WW Schulz, PB Allen
Physical review letters 72 (21), 3389, 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
Atomic arrangement and electronic structure of BC 2 N
AY Liu, RM Wentzcovitch, ML Cohen
Physical Review B 39 (3), 1760, 1989
Stability of carbon nitride solids
AY Liu, RM Wentzcovitch
Physical Review B 50 (14), 10362, 1994
Ab initio molecular dynamics with variable cell shape: application to MgSiO 3
RM Wentzcovitch, JL Martins, GD Price
Physical Review Letters 70 (25), 3947, 1993
Invariant molecular-dynamics approach to structural phase transitions
RM Wentzcovitch
Physical Review B 44 (5), 2358, 1991
Body-Centered Tetragonal C 4: A Viable s p 3 Carbon Allotrope
K Umemoto, RM Wentzcovitch, S Saito, T Miyake
Physical review letters 104 (12), 125504, 2010
Electronic and structural properties of BN and BP
RM Wentzcovitch, KJ Chang, ML Cohen
Physical Review B 34 (2), 1071, 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
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions
BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Science 286 (5445), 1705-1707, 1999
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
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
Theoretical study of BN, BP, and BAs at high pressures
RM Wentzcovitch, ML Cohen, PK Lam
Physical Review B 36 (11), 6058, 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
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
Calculation of electronic and structural properties of
D Tomanek, RM Wentzcovitch, SG Louie, ML Cohen
Physical review B 37 (6), 3134, 1988
MgSiO3 postperovskite at D ″conditions
RM Wentzcovitch, T Tsuchiya, J Tsuchiya
Proceedings of the National Academy of Sciences 103 (3), 543-546, 2006
Energy versus free-energy conservation in first-principles molecular dynamics
RM Wentzcovitch, JL Martins, PB Allen
Physical Review B 45 (19), 11372, 1992
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