Miguel A Morales
TitleCited byYear
The properties of hydrogen and helium under extreme conditions
JM McMahon, MA Morales, C Pierleoni, DM Ceperley
Reviews of Modern Physics 84 (4), 1607, 2012
3092012
Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ...
Chemical reviews 116 (13), 7529-7550, 2016
2262016
Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ...
Chemical reviews 116 (13), 7529-7550, 2016
2262016
Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations
MA Morales, C Pierleoni, E Schwegler, DM Ceperley
Proceedings of the National Academy of Sciences 107 (29), 12799-12803, 2010
2122010
Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
MA Morales, JM McMahon, C Pierleoni, DM Ceperley
Physical Review Letters 110 (6), 065702, 2013
1312013
Phase separation in hydrogen–helium mixtures at Mbar pressures
MA Morales, E Schwegler, D Ceperley, C Pierleoni, S Hamel, ...
Proceedings of the National Academy of Sciences 106 (5), 1324-1329, 2009
1052009
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters …
SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ...
The Journal of Chemical Physics 145 (19), 194504, 2016
902016
Hybrid algorithms in quantum Monte Carlo
J Kim, KP Esler, J McMinis, MA Morales, BK Clark, L Shulenburger, ...
Journal of Physics: Conference Series 402 (1), 012008, 2012
882012
Multideterminant Wave Functions in Quantum Monte Carlo
MA Morales, J McMinis, BK Clark, J Kim, GE Scuseria
Journal of Chemical Theory and Computation 8 (7), 2181-2188, 2012
872012
Equation of state of metallic hydrogen from coupled electron-ion Monte Carlo simulations
MA Morales, C Pierleoni, DM Ceperley
Physical Review E 81 (2), 021202, 2010
742010
On the representation of many-body interactions in water
GR Medders, AW Götz, MA Morales, P Bajaj, F Paesani
The Journal of Chemical Physics 143 (10), 104102, 2015
692015
Towards a predictive first-principles description of solid molecular hydrogen with density functional theory
MA Morales, JM McMahon, C Pierleoni, DM Ceperley
Physical Review B 87 (18), 184107, 2013
682013
Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations
C Pierleoni, MA Morales, G Rillo, M Holzmann, DM Ceperley
Proceedings of the National Academy of Sciences 113 (18), 4953-4957, 2016
632016
Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm
BK Clark, MA Morales, J McMinis, J Kim, GE Scuseria
The Journal of chemical physics 135 (24), 244105, 2011
602011
Molecular to atomic phase transition in hydrogen under high pressure
J McMinis, RC Clay III, D Lee, MA Morales
Physical review letters 114 (10), 105305, 2015
592015
Molecular to Atomic Phase Transition in Hydrogen under High Pressure
J McMinis, RC Clay III, D Lee, MA Morales
Physical Review Letters 114 (10), 105305, 2015
592015
Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo
RC Clay III, J Mcminis, JM McMahon, C Pierleoni, DM Ceperley, ...
Physical Review B 89 (18), 184106, 2014
592014
Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo
RC Clay III, J Mcminis, JM McMahon, C Pierleoni, DM Ceperley, ...
Physical Review B 89 (18), 184106, 2014
592014
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
J Kim, AT Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
552018
Hydrogen-helium demixing from first principles: From diamond anvil cells to planetary interiors
MA Morales, S Hamel, K Caspersen, E Schwegler
Physical Review B 87 (17), 174105, 2013
482013
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