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

Bernhardt, Marvin P.; Nagata, Yuki; van der Vegt, Nico F. A.

doi:10.1021/acs.jpclett.2c00121

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

Bernhardt, M. P., Nagata, Y., & van der Vegt, N. F. A. (2022). Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion- Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The Journal of Physical Chemistry Letters, 13(16), 3712-3717. doi:10.1021/acs.jpclett.2c00121.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000A-866B-7 Version Permalink: https://hdl.handle.net/21.11116/0000-000A-866C-6

Genre: Journal Article

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Creators:
Bernhardt, Marvin P., Author
Nagata, Yuki¹, Author
van der Vegt, Nico F. A., Author

Affiliations:
1Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285

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Language(s): eng - English

Dates: Published Online: 2022-04-19

Publication Status: Published online

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Identifiers: DOI: 10.1021/acs.jpclett.2c00121

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Project name : MaxWater Initiative by the Max Planck Society

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Funding organization : Max Planck Society

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Title: The Journal of Physical Chemistry Letters

Abbreviation : J. Phys. Chem. Lett.

Source Genre: Journal

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Publ. Info: Washington, DC : American Chemical Society

Pages: - Volume / Issue: 13 (16) Sequence Number: - Start / End Page: 3712 - 3717 Identifier: ISSN: 1948-7185
CoNE: https://pure.mpg.de/cone/journals/resource/1948-7185