262 citations · 1.5k across the 16 of their papers we have counts for
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physics.comp-ph2014★ 62 cited
Gradient corrections to the exchange-correlation free energy
Travis Sjostrom, Jerome Daligault
We develop the first order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite temperature density functional calculations…
physics.plasm-ph2014★ 74 cited
Fast and accurate quantum molecular dynamics of dense plasmas across temperature regimes
Travis Sjostrom, Jerome Daligault
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method…
cond-mat.mtrl-sci2014★ 80 cited
Finite-temperature orbital-free DFT molecular dynamics: coupling Profess and Quantum Espresso
Valentin V. Karasiev, Travis Sjostrom, S. B. Trickey
Implementation of orbital-free free-energy functionals in the Profess code and the coupling of Profess with the Quantum Espresso code are described. The combination enables orbital…