DFTB+, a sparse matrix-based implementation of the DFTB method.

By B. Aradi, B. Hourahine, T. Frauenheim. Journal of Physical Chemistry A, 2007

1,542 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Computational Theory and Mathematics, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/7b54f0664ba9049fac455963226bbc9da67f8668

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In Electrical and Electronic Engineering

1. Gotthard Seifert

Citations in the corpus

• OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials (2023, neutral): “The MTS reference forces were evaluated at a SCC-DFTB3 level of theory 49 .”