Valentin V. Karasiev

Publication Activity (10 Years)

Years Active: 1999-2024
Publications (10 Years): 4

Top Topics

Molecular Dynamics

Top Venues

Comput. Phys. Commun.

Mach. Learn. Sci. Technol.

Publications

Dayou Yu, Deep Shankar Pandey, Joshua Hinz, Deyan I. Mihaylov, Valentin V. Karasiev, S. X. Hu, Qi Yu
Deep energy-pressure regression for a thermodynamically consistent EOS model. Mach. Learn. Sci. Technol. 5 (1) (2024)
Deyan I. Mihaylov, S. X. Hu, Valentin V. Karasiev
Dragon: A multi-GPU orbital-free density functional theory molecular dynamics simulation package for modeling of warm dense matter. Comput. Phys. Commun. 294 (2024)
Lucas Calderin, Valentin V. Karasiev, Samuel B. Trickey
Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets. Comput. Phys. Commun. 221 (2017)
Valentin V. Karasiev, Debajit Chakraborty, Samuel B. Trickey
Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations. Comput. Phys. Commun. 192 (2015)
Valentin V. Karasiev, Travis Sjostrom, Samuel B. Trickey
Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso. Comput. Phys. Commun. 185 (12) (2014)
Valentin V. Karasiev, Samuel B. Trickey
Issues and challenges in orbital-free density functional calculations. Comput. Phys. Commun. 183 (12) (2012)
A. N. Artemyev, Eduardo V. Ludeña, Valentin V. Karasiev, Antonio J. Hernández
A finite B-spline basis set for accurate diatomic molecule calculations. J. Comput. Chem. 25 (3) (2004)
Eduardo V. Ludeña, Valentin V. Karasiev, R. López-Boada, E. Valderrama, J. Maldonado
Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules. J. Comput. Chem. 20 (1) (1999)