Publication: Bernhardt et al (2022) - Where Lennard-Jones potentials fail: Iterative optimization of ion-water pair potentials based on ab-initio molecular dynamics data

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Publication(s)
Publication 1
Title of related publication
Where Lennard-Jones potentials fail: Iterative optimization of ion-water pair potentials based on ab-initio molecular dynamics dat
Year of related publication
2022
DOI of related publication (not DOI of data resources)
10.1021/acs.jpclett.2c00121
Funding DFG Project No. 233630050-TRR146
Subproject Project B1: Inverse problems in coarse-grained particle simulations
Cooperation partner(s) Technical University of Darmstadt
Responsible Person's Name (PI) Prof. Dr. Nico van der Vegt
Responsible Person's Email for further data requests vandervegt@cpc.tu-darmstadt.de
Responsible Person's Affiliation Institute for Computational Physical Chemistry, Technical University of Darmstadt, Germany