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Molecular Simulation Volume 48, 2022 - Issue 13
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Thermodynamic calculations using reverse Monte Carlo: convergence aspects, sources of error and guidelines for improving accuracy

Gargi AgrahariDepartment of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai, IndiaView further author information
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Abhijit ChatterjeeDepartment of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-3747-8433View further author information
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Pages 1143-1154 | Received 17 Oct 2021, Accepted 26 Apr 2022, Published online: 06 May 2022

Citations (3)

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Akash Kumar Ball, Suhail Haque & Abhijit Chatterjee. (2023) Relaxation dynamics in lattice reverse Monte Carlo. Molecular Simulation 49:10, pages 993-1005.
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Articles from other publishers (2)

Akash Kumar Ball, Swati Rana, Gargi Agrahari & Abhijit Chatterjee. (2023) Accelerated calculation of configurational free energy using a combination of reverse Monte Carlo and neural network models: Adsorption isotherm for 2D square and triangular lattices. Computer Physics Communications 285, pages 108654.
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Aditya Kumar & Abhijit Chatterjee. (2023) A probabilistic microkinetic modeling framework for catalytic surface reactions. The Journal of Chemical Physics 158:2.
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