The melting point of lithium: an orbital-free first-principles molecular dynamics study

Simulations: The dark side

(2013) D. Frenkel   European Physical Journal Plus

A comparison of methods for melting point calculation using molecular dynamics simulations

(2012) Yong Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Toward an orbital-free density functional theory of transition metals based on an electron density decomposition

(2012) Chen Huang et al.   PHYSICAL REVIEW B

Density-decomposed orbital-free density functional theory for covalently bonded molecules and materials

(2012) Junchao Xia et al.   PHYSICAL REVIEW B

High Pressure Melting of Lithium

(2012) Anne Marie J. Schaeffer et al.   PHYSICAL REVIEW LETTERS

Lattice Dynamics of Dense Lithium

(2012) F. A. Gorelli et al.   PHYSICAL REVIEW LETTERS

Cold melting and solid structures of dense lithium

(2011) Christophe L. Guillaume et al.   Nature Physics

Predicted Novel High-Pressure Phases of Lithium

(2011) Jian Lv et al.   PHYSICAL REVIEW LETTERS

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

(2010) Linda Hung et al.   COMPUTER PHYSICS COMMUNICATIONS

Nonlocal orbital-free kinetic energy density functional for semiconductors

(2010) Chen Huang et al.   PHYSICAL REVIEW B

First-Principles Simulations of Lithium Melting: Stability of the bcc Phase Close to Melting

(2010) E. R. Hernández et al.   PHYSICAL REVIEW LETTERS

Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics

(2009) Linda Hung et al.   CHEMICAL PHYSICS LETTERS

Performance projections for the lithium tokamak experiment (LTX)

(2009) R. Majeski et al.   NUCLEAR FUSION

Introducing PROFESS: A new program for orbital-free density functional theory calculations

(2008) Gregory S. Ho et al.   COMPUTER PHYSICS COMMUNICATIONS

Transferable local pseudopotentials for magnesium, aluminum and silicon

(2008) Chen Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tetrahedral Clustering in Molten Lithium under Pressure

(2008) Isaac Tamblyn et al.   PHYSICAL REVIEW LETTERS