262 citations · 1.5k across the 16 of their papers we have counts for
16 papers
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…
The Strongly Coupled Electron Liquid: ab initio Path Integral Monte Carlo Simulations and Dielectric Theories
Tobias Dornheim, Travis Sjostrom, Shigenori Tanaka +1
The strongly coupled electron liquid provides a unique opportunity to study the complex interplay of strong coupling with quantum degeneracy effects and thermal excitations. To thi…
The Uniform Electron Gas at Warm Dense Matter Conditions
Tobias Dornheim, Simon Groth, Michael Bonitz
We review the uniform electron gas (UEG) at finite temperature and over a broad density range relevant for warm dense matter (WDM) applications. We provide an overview of different…
Sesame-Style Decomposition of KS-DFT Molecular Dynamics for Direct Interrogation of Nuclear Models
Sarah C. Burnett, Daniel G. Sheppard, Kevin G. Honnell +1
A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution…
Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions
Simon Groth, Tobias Dornheim, Travis Sjostrom +3
In a recent Letter [T.~Dornheim \textit{et al.}, Phys. Rev. Lett. \textbf{117}, 156403 (2016)], we presented the first \textit{ab initio} quantum Monte-Carlo (QMC) results of the w…
\emph{Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas
Tobias Dornheim, Simon Groth, Fionn Malone +4
Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects as well as for novel laboratory experiments in which ma…
{\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit
Tobias Dornheim, Simon Groth, Travis Sjostrom +3
We perform \emph{ab initio} quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with linear response theo…
Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory
Travis Sjostrom, Jérôme Daligault
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic…
Orbital-free extension to Kohn-Sham density functional theory equation of state calculations: application to silicon dioxide
Travis Sjostrom, Scott Crockett
The liquid regime equation of state of silicon dioxide SiO is calculated via quantum molecular dynamics in the density range 5 to 15 g/cc and with temperatures from 0.5 to 100…
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…
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…
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…
Local Spin-density Approximation Exchange-correlation Free-energy Functional
Valentin V. Karasiev, Travis Sjostrom, James Dufty +1
An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived v…
Uniform electron gas at finite temperatures
Travis Sjostrom, James Dufty
We calculate the free energy of the quantum uniform electron gas for temperatures from near zero to 100 times the Fermi energy, approaching the classical limit. An extension of the…
Comparison of Density Functional Approximations and the Finite-temperature Hartree-Fock Approximation in Warm Dense Lithium
Valentin V. Karasiev, Travis Sjostrom, S. B. Trickey
We compare the behavior of the finite-temperature Hartree-Fock model with that of thermal density functional theory using both ground-state and temperature-dependent approximate ex…
Temperature-Dependent Behavior of Confined Many-electron Systems in the Hartree-Fock Approximation
Travis Sjostrom, Frank E. Harris, S. B. Trickey
Many-electron systems at substantial finite temperatures and densities present a major challenge to density functional theory. Very little is known about the free-energy behavior o…