Data of the publication: Bottom-up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models With Accurate Dynamics.

Atomistic and coarse-grained models, memory kernels, structural and dynamic properties. Jupyter notebook files for reproducing the figures in the publication.

Identifier
Source https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/3551
Metadata Access https://tudatalib.ulb.tu-darmstadt.de/oai/openairedata?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:tudatalib.ulb.tu-darmstadt.de:tudatalib/3551
Provenance
Creator Klippenstein, Viktor; 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/A02vanderVegt
Rights Creative Commons Attribution 4.0; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://tudatalib.ulb.tu-darmstadt.de/page/contact
Representation
Language English
Resource Type Dataset
Format application/zip; application/octet-stream
Version V1.0
Discipline Other