Reactive molecular dynamics at constant pressure via non-reactive force fields: extending the Empirical Valence Bond method to the isothermal-isobaric ensemble (2020)
Attributed to:
Beyond Classical Molecular Dynamics: Developing DL_POLY
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.2005.14084
Publication URI: https://arxiv.org/abs/2005.14084
Type: Other