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Extended first-principles molecular dynamics model for high temperature simulations in the Abinit code: Application to warm dense aluminum.
Augustin Blanchet
Jean Clérouin
Marc Torrent
François Soubiran
Published in:
Comput. Phys. Commun. (2022)
Keyphrases
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molecular dynamics
mathematical model
modeling method
theoretical analysis
databases
high level
motion estimation
database systems
image sequences
management system
fault tolerant
computing environments
high temperature