DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics — mentioned by chazeon

Fri, 14 Oct 2022 18:08:03 GMT

See this one, for example, you could look at the method description section: Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials https://arxiv.org/abs/2104.14410 The software that are used are DeePMD-kit: https://github.com/deepmodeling/deepmd-kit the corresponding paper is https://arxiv.org/pdf/1712.03641.pdf

Paper and discussion history. A mention is not an endorsement.

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics · HackerPapers discussions

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics — mentioned by chazeon