Supplementary Data for Paper "Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo"

Bartosz Mazur; Lucyna Firlej; Bogdan Kuchta

doi:10.5281/zenodo.12187963

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Supplementary Data for Paper "Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo"

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Supplementary Data for Paper "Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo"

Bartosz Mazur, Lucyna Firlej et Bogdan Kuchta

Zenodo

20/06/2024

DOI: https://doi.org/10.5281/zenodo.12187963

Résumé

This dataset contains data needed to reproduce all calculations and plots published in paper "Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo", B. Mazur, L. Firlej, and B. Kuchta, 2024, ACS Appl. Mater. Interfaces, DOI: 10.1021/acsami.4c02616.

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Titre: Supplementary Data for Paper "Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo"
Créateurs - sans rôle: Bartosz Mazur - Wroclaw University of Science and Technology (WUST)
Lucyna Firlej - Wroclaw University of Science and Technology (WUST)
Bogdan Kuchta - Wroclaw University of Science and Technology (WUST)
Éditeur: Zenodo
Identifiants: 99147569809311
Unité académique: Laboratoire Charles Coulomb - L2C
Langue: English
Type de ressource: Dataset