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Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas
Shuai Zhang, Burkhard Militzer, Lorin X. Benedict +3
Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of…
First-principles Equation of State and Shock Compression Predictions of Warm Dense Hydrocarbons
Shuai Zhang, Kevin P. Driver, François Soubiran +1
We use path integral Monte Carlo and density functional molecular dynamics to construct a coherent set of equation of state for a series of hydrocarbon materials with various C:H r…
First-Principles Simulations of Warm Dense Lithium Fluoride
K. P. Driver, B. Militzer
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our…