Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data

• 323 01 Physikalisch...
• Biophysikalische Ch...
• Flüssigkeiten und G...
• ions
• molecular dynamics
• tabulated potential

Identifier
Source	https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/3493
Related Identifier	https://doi.org/10.1021/acs.jpclett.2c00121
Metadata Access	https://tudatalib.ulb.tu-darmstadt.de/oai/openairedata?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:tudatalib.ulb.tu-darmstadt.de:tudatalib/3493

Provenance
Creator	Bernhardt, Marvin P.; Nagata, Yuki; van der Vegt, Nico
Publisher	TU Darmstadt
Contributor	Deutsche Forschungsgemeinschaft; TU Darmstadt
Publication Year	2022
Funding Reference	Deutsche Forschungsgemeinschaft info:eu-repo/grantAgreement/DFG/TRR146/B01vanderVegt
Rights	Open Data Commons Attribution License (ODC-By) v1.0; info:eu-repo/semantics/openAccess
OpenAccess	true
Contact	https://tudatalib.ulb.tu-darmstadt.de/page/contact

Representation
Language	English
Resource Type	Software
Format	application/octet-stream; application/zip
Discipline	Other