AladynPi- adaptive neural network molecular dynamics simulation code with physically informed potential : computational materials mini-application /

Bibliographic Details

Main Authors:	Yamakov, Vesselin (Author), Glaessgen, Edward H. (Author)
Format:	Government Document eBook
Language:	English
Published:	Hampton, Virginia : National Aeronautics and Space Administration, Langley Research Center, December 2019.
Series:	NASA technical memorandum ; 2019-220431.
Subjects:	Algorithms. FORTRAN. Computerized simulation. Molecular dynamics. Quantum mechanics.
Online Access:	https://purl.fdlp.gov/GPO/gpo131061