Error vector choice in direct inversion in the iterative subspace method. - Irina V. Ionova; Emily A. Carter (J. Comput. Chem., 1996)

Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory. - Claudine C. Tazartes; Christopher Radcliffe Anderson; Emily A. Carter (J. Comput. Chem., 1998)

The role of reactive elements in thermal barrier coatings. - Emily A. Jarvis; Emily A. Carter (Comput. Sci. Eng., 2002)

Prediction of Dislocation Nucleation During Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-continuum Method. - Robin L. Hayes; Matthew Fago; Michael Ortiz; Emily A. Carter (Multiscale Model. Simul., 2005)

Introducing PROFESS: A new program for orbital-free density functional theory calculations. - Gregory S. Ho; Vincent L. Lignères; Emily A. Carter (Comput. Phys. Commun., 2008)

Erratum: Prediction of Dislocation Nucleation during Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-Continuum Method. - Robin L. Hayes; Matthew Fago; Michael Ortiz; Emily A. Carter (Multiscale Model. Simul., 2008)

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations. - Linda Hung; Chen Huang; Ilgyou Shin; Gregory S. Ho; Vincent L. Lignères; Emily A. Carter (Comput. Phys. Commun., 2010)

Shared-memory parallelization of a local correlation multi-reference CI program. - Johannes M. Dieterich; David B. Krisiloff; Alexander Gaenko; Florian Libisch; Theresa L. Windus; Mark S. Gordon; Emily A. Carter (Comput. Phys. Commun., 2014)

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. - Mohan Chen 002; Junchao Xia; Chen Huang; Johannes M. Dieterich; Linda Hung; Ilgyou Shin; Emily A. Carter (Comput. Phys. Commun., 2015)

libKEDF: An accelerated library of kinetic energy density functionals. - Johannes M. Dieterich; William C. Witt; Emily A. Carter (J. Comput. Chem., 2017)