libKEDF: An accelerated library of kinetic energy density functionals

Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms

(2016) Mohan Chen et al.   Journal of Chemical Theory and Computation

Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method

(2015) Mohan Chen et al.   AICHE JOURNAL

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

(2015) Mohan Chen et al.   COMPUTER PHYSICS COMMUNICATIONS

Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions

(2015) Alisa Krishtal et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

(2014) Ilgyou Shin et al.   JOURNAL OF CHEMICAL PHYSICS

Angular momentum dependent orbital-free density functional theory: Formulation and implementation

(2014) Youqi Ke et al.   PHYSICAL REVIEW B

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

(2014) Travis Sjostrom et al.   PHYSICAL REVIEW LETTERS

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

(2013) Mohan Chen et al.   MOLECULAR PHYSICS

Angular-Momentum-Dependent Orbital-Free Density Functional Theory

(2013) Youqi Ke et al.   PHYSICAL REVIEW LETTERS

Subsystem density-functional theory

(2013) Christoph R. Jacob et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Libxc: A library of exchange and correlation functionals for density functional theory

(2012) Miguel A.L. Marques et al.   COMPUTER PHYSICS COMMUNICATIONS

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

Dynamic kinetic energy potential for orbital-free density functional theory

(2011) Daniel Neuhauser et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

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

Advances in Correlated Electronic Structure Methods for Solids, Surfaces, and Nanostructures

(2007) Patrick Huang et al.   Annual Review of Physical Chemistry