295 citations · 2.3k across the 39 of their papers we have counts for
4 papers · 1 filter
The Transition to the Metallic State in Low Density Hydrogen
Jeremy McMinis, Miguel Morales, David M. Ceperley +1
Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and…
Multi-Determinant Wave-functions in Quantum Monte Carlo
M. A. Morales, J. McMinis, B. K. Clark +2
Quantum Monte Carlo (QMC) methods have received considerable attention over the last decades due to their great promise for providing a direct solution to the many-body Schrodinger…
Towards a Predictive First-Principles Description of Solid Molecular Hydrogen with Density-Functional Theory
M. A. Morales, J. M. McMahon, C. Pierleoni +1
We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the i…
Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
M. A. Morales, J. M. McMahon, C. Pierleoni +1
Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange--correlation density functionals (DFs) near molecular diss…