Iterative integral equation methods for structural coarse-graining
Author:
Affiliation:
1. Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, 64287 Darmstadt, Germany
2. Institut für Mathematik, Johannes Gutenberg-Universität Mainz, 55099 Mainz, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0038633
Reference48 articles.
1. Systematic coarse-graining of molecular models by the Newton inversion method
2. A uniqueness theorem for fluid pair correlation functions
3. A note on the uniqueness result for the inverse Henderson problem
4. Deriving effective mesoscale potentials from atomistic simulations
5. Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach
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