"Optimizing Lennard-Jones parameters by coupling single molecule and ..."

Robin Strickstrock et al. (2022)

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DOI: 10.1016/J.CPC.2022.108285

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type: Journal Article

metadata version: 2022-10-02

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Robin Strickstrock, Marco Hülsmann, Dirk Reith, Karl N. Kirschner:
Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data. Comput. Phys. Commun. 274: 108285 (2022)

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