182 citations · 461 across the 9 of their papers we have counts for
11 papers
Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
Razvan Caracas, Anais Kobsch, Natalia V. Solomatova +3
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications o…
Reconciling ionization energies and band gaps of warm dense matter derived with ab initio simulations and average atom models
G. Massacrier, M. Böhme, J. Vorberger +2
Average atom (AA) models allow one to efficiently compute electronic and optical properties of materials over a wide range of conditions and are often employed to interpret experim…
First-Principles Equation of State Database for Warm Dense Matter Computation
Burkhard Militzer, Felipe Gonzalez-Cataldo, Shuai Zhang +2
We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional mo…
Constraining the Depth of the Winds on Uranus and Neptune via Ohmic Dissipation
Deniz Soyuer, François Soubiran, Ravit Helled
Determining the depth of atmospheric winds in the outer planets of the Solar System is a key topic in planetary science. We provide constraints on these depths in Uranus and Neptun…
Equation of State of Hot, Dense Magnesium Derived with First-PrinciplesComputer Simulations
Felipe González-Cataldo, François Soubiran, Burkhard Militzer
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium…
Magnesium Oxide at Extreme Temperatures and Pressures Studied with First-Principles Simulations
François Soubiran, Felipe González-Cataldo, Kevin P. Driver +2
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of ma…