Papers: 10.1021/acs.jctc.0c01156

https://doi.org/10.1021/acs.jctc.0c01156

Curvature Constrained Splines for DFTB Repulsive Potential Parametrization

Cited by: 11
Author(s): Akshay Krishna Ammothum Kandy, Eddie Wadbro, Bálint Aradi, Peter Broqvist, Jolla Kullgren
Published: over 5 years ago

Software Mentions 1