Data of the publication: A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations

Atomistic and coarse-grained models (LAMMPS input), memory kernels, structural and dynamic properties.

Identifier
Source https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/4212
Metadata Access https://tudatalib.ulb.tu-darmstadt.de/oai/openairedata?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:tudatalib.ulb.tu-darmstadt.de:tudatalib/4212
Provenance
Creator Klippenstein, Viktor; Wolf, Niklas; van der Vegt, Nico
Publisher TU Darmstadt
Contributor Deutsche Forschungsgemeinschaft; TU Darmstadt
Publication Year 2024
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
Discipline Other