activity
19952025
most citedFree energy of liquid water on the basis of quasi-chemical theory and ab initio molecular dynamics

147 citations · 758 across the 18 of their papers we have counts for

collaborators

19 papers

physics.chem-ph2025

Stoichiometrically-informed symbolic regression for extracting chemical reaction mechanisms from data

Manuel Palma Banos, Joel D. Kress, Rigoberto Hernandez +1

A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic sym…

physics.plasm-ph2020★ 87 cited

Review of the First Charged-Particle Transport Coefficient Comparison Workshop

P. E. Grabowski, S. B. Hansen, M. S. Murillo +42

We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, sc…

physics.plasm-ph2020★ 20 cited

Static and dynamic properties of multi-ionic plasma mixtures

Jean Clerouin, Philippe Arnault, Benoit-Joseph Grea +6

Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species wit…

physics.plasm-ph2018★ 5 cited

Checking the Salpeter enhancement of nuclear reactions in asymmetric mixtures

Jean Clerouin, Philippe Arnault, Nicolas Desbiens +4

We investigate the plasma enhancement of nuclear reactions in the intermediate coupling regime using orbital free molecular dynamics (OFMD) simulations. Mixtures of H-Cu and H-Ag s…

astro-ph.EP2017★ 79 cited

Planetary Ices and the Linear Mixing Approximation

Mandy Bethkenhagen, Edmund R. Meyer, Sebastien Hamel +8

The validity of the widely used linear mixing approximation for the equations of state (EOS) of planetary ices is investigated at pressure-temperature conditions typical for the in…

cond-mat.mtrl-sci2016★ 46 cited

First-Principles Prediction of the Softening of the Silicon Shock Hugoniot Curve

S. X. Hu, B. Militzer, L. A. Collins +2

Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and pa…