Emily A. Carter

Publication Activity (10 Years)

Years Active: 1996-2017
Publications (10 Years): 1

Top Topics

Molecular Dynamics

Shared Memory Multiprocessors

Parallel Architecture

Top Venues

Comput. Phys. Commun.

J. Comput. Chem.

Publications

Johannes M. Dieterich, William C. Witt, Emily A. Carter
libKEDF: An accelerated library of kinetic energy density functionals. J. Comput. Chem. 38 (17) (2017)
Mohan Chen, Junchao Xia, Chen Huang, Johannes M. Dieterich, Linda Hung, Ilgyou Shin, Emily A. Carter
Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. Comput. Phys. Commun. 190 (2015)
Johannes M. Dieterich, David B. Krisiloff, Alexander Gaenko, Florian Libisch, Theresa L. Windus, Mark S. Gordon, Emily A. Carter
Shared-memory parallelization of a local correlation multi-reference CI program. Comput. Phys. Commun. 185 (12) (2014)
Linda Hung, Chen Huang, Ilgyou Shin, Gregory S. Ho, Vincent L. Lignères, Emily A. Carter
Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations. Comput. Phys. Commun. 181 (12) (2010)
Robin L. Hayes, Matthew Fago, Michael Ortiz, Emily A. Carter
Erratum: Prediction of Dislocation Nucleation during Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-Continuum Method. Multiscale Model. Simul. 7 (2) (2008)
Gregory S. Ho, Vincent L. Lignères, Emily A. Carter
Introducing PROFESS: A new program for orbital-free density functional theory calculations. Comput. Phys. Commun. 179 (11) (2008)
Robin L. Hayes, Matthew Fago, Michael Ortiz, Emily A. Carter
Prediction of Dislocation Nucleation During Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-continuum Method. Multiscale Model. Simul. 4 (2) (2005)
Emily A. Jarvis, Emily A. Carter
The role of reactive elements in thermal barrier coatings. Comput. Sci. Eng. 4 (2) (2002)
Claudine C. Tazartes, Christopher Radcliffe Anderson, Emily A. Carter
Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory. J. Comput. Chem. 19 (11) (1998)
Irina V. Ionova, Emily A. Carter
Error vector choice in direct inversion in the iterative subspace method. J. Comput. Chem. 17 (16) (1996)