Nested Monte Carlo simulation of ionic systems with the primitive model using Debye-Hückel (DH) potential as an importance function and optimizing the DH potential with Kullback-Leibler divergence minimization-Reference-Cited by-同舟云学术

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Nested Monte Carlo simulation of ionic systems with the primitive model using Debye-Hückel (DH) potential as an importance function and optimizing the DH potential with Kullback-Leibler divergence minimization

Published:2023-05-29 Issue:2 Volume:135 Page:
ISSN:0973-7103
Container-title:Journal of Chemical Sciences
language:en
Short-container-title:J Chem Sci

Author:

Srivastava Rakesh,Bandyopadhyay Pradipta^ORCID

Funder

Department of Biotechnology, Ministry of Science and Technology, India

Publisher

Springer Science and Business Media LLC

Subject

General Chemistry

Link

https://link.springer.com/content/pdf/10.1007/s12039-023-02167-0.pdf

Reference28 articles.

1. Allen M P and Tildesley D J 2017 Computer simulation of liquids: Second edition. Computer Simulation of Liquids: Second Edition (Oxford University Press)

2. Frenkel D and Smit B 1996 Understanding molecular simulation: From algorithms to applications. Understanding molecular simulation: From algorithms to applications (Elsevier)

3. Toukmaji A Y and Board J A 1996 Ewald summation techniques in perspective: A survey Comput. Phys. Commun. 95 73

4. Darden T, York D and Pedersen L 1993 Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems J. Chem. Phys. 98 10089

5. Wolf D, Keblinski P, Phillpot S R and Eggebrecht J 1999 Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r-1 summation J. Chem. Phys. 110 8254

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