Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules. - Eduardo V. Ludeña; Valentin V. Karasiev; R. López-Boada; E. Valderrama; J. Maldonado (J. Comput. Chem., 1999)

A finite B-spline basis set for accurate diatomic molecule calculations. - A. N. Artemyev; Eduardo V. Ludeña; Valentin V. Karasiev; Antonio J. Hernández (J. Comput. Chem., 2004)

Issues and challenges in orbital-free density functional calculations. - Valentin V. Karasiev; Samuel B. Trickey (Comput. Phys. Commun., 2012)

Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso. - Valentin V. Karasiev; Travis Sjostrom; Samuel B. Trickey (Comput. Phys. Commun., 2014)

Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations. - Valentin V. Karasiev; Debajit Chakraborty; Samuel B. Trickey (Comput. Phys. Commun., 2015)

Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets. - Lucas Calderin; Valentin V. Karasiev; Samuel B. Trickey (Comput. Phys. Commun., 2017)

Dragon: A multi-GPU orbital-free density functional theory molecular dynamics simulation package for modeling of warm dense matter. - Deyan I. Mihaylov; S. X. Hu; Valentin V. Karasiev (Comput. Phys. Commun., 2024)

Deep energy-pressure regression for a thermodynamically consistent EOS model. - Dayou Yu; Deep Shankar Pandey; Joshua Hinz; Deyan I. Mihaylov; Valentin V. Karasiev; S. X. Hu; Qi Yu 001 (Mach. Learn. Sci. Technol., 2024)