A generalized Newton iteration for computing the solution of the inverse Henderson problem

DOI10.1080/17415977.2019.1710504zbMath1461.65109arXiv1806.11135OpenAlexW2999475431WikidataQ126334788 ScholiaQ126334788MaRDI QIDQ4991511

Dmitry Ivanizki, Fabrice Delbary, Martin Hanke

Publication date: 3 June 2021

Published in: Inverse Problems in Science and Engineering (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1806.11135

zbMATH Keywords

effective potentialcoarse-grainingradial distribution functioninverse Monte Carloiterative Boltzmann inversion

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Numerical solution to inverse problems in abstract spaces (65J22)

Related Items (1)

A note on the uniqueness result for the inverse Henderson problem

Uses Software

• Gromacs
• MagiC

Cites Work

• Fréchet differentiability of molecular distribution functions. I: \(L^\infty \) analysis
• Well-posedness of the iterative Boltzmann inversion
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