Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso

(2014) Valentin V. Karasiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressures

(2014) Daniel Sheppard et al.   PHYSICAL REVIEW E

First-principles opacity table of warm dense deuterium for inertial-confinement-fusion applications

(2014) S. X. Hu et al.   PHYSICAL REVIEW E

Fast and Accurate Quantum Molecular Dynamics of Dense Plasmas Across Temperature Regimes

(2014) Travis Sjostrom et al.   PHYSICAL REVIEW LETTERS

Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations

(2014) Valentin V. Karasiev et al.   PHYSICAL REVIEW LETTERS

Density functional theory calculations of continuum lowering in strongly coupled plasmas

(2014) S. M. Vinko et al.   Nature Communications

Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas

(2013) Ethan W. Brown et al.   PHYSICAL REVIEW LETTERS

Observations of the Effect of Ionization-Potential Depression in Hot Dense Plasma

(2013) D. J. Hoarty et al.   PHYSICAL REVIEW LETTERS

Wide range equation of state for fluid hydrogen from density functional theory

(2013) Cong Wang et al.   PHYSICS OF PLASMAS

Direct Measurements of the Ionization Potential Depression in a Dense Plasma

(2012) O. Ciricosta et al.   PHYSICAL REVIEW LETTERS

First-principles equation-of-state table of deuterium for inertial confinement fusion applications

(2011) S. X. Hu et al.   PHYSICAL REVIEW B

Ab InitioSimulations of Dense Helium Plasmas

(2011) Cong Wang et al.   PHYSICAL REVIEW LETTERS

First-order liquid-liquid phase transition in dense hydrogen

(2010) Winfried Lorenzen et al.   PHYSICAL REVIEW B

Insulator-to-Conducting Transition in Dense Fluid Helium

(2010) P. M. Celliers et al.   PHYSICAL REVIEW LETTERS

Unified First Principles Description from Warm Dense Matter to Ideal Ionized Gas Plasma: Electron-Ion Collisions Induced Friction

(2010) Jiayu Dai et al.   PHYSICAL REVIEW LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Temperature and density dependence of XANES spectra in warm dense aluminum plasmas

(2009) V. Recoules et al.   PHYSICAL REVIEW B

Path integral Monte Carlo and density functional molecular dynamics simulations of hot, dense helium

(2009) B. Militzer   PHYSICAL REVIEW B

Ab InitioDetermination of Thermal Conductivity of Dense Hydrogen Plasmas

(2009) Vanina Recoules et al.   PHYSICAL REVIEW LETTERS

Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard

(2009) M. D. Knudson et al.   PHYSICAL REVIEW LETTERS

Hugoniot Data for Helium in the Ionization Regime

(2008) J. Eggert et al.   PHYSICAL REVIEW LETTERS