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KelbgLIP: Program implementation of the high-temperature Kelbg density matrix for path integral and molecular dynamics simulations with long-range Coulomb interaction.
G. S. Demyanov
P. R. Levashov
Published in:
Comput. Phys. Commun. (2024)
Keyphrases
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long range
high temperature
short range
long range interactions
conditional random fields
long range correlations
molecular dynamics simulations
database systems
neural network
prior knowledge