Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”
Author:
Affiliation:
1. Chemical Sciences Division National Institute of Standards and Technology Gaithersburg Maryland USA
2. Department of Chemical and Biological Engineering University at Buffalo Buffalo New York USA
Publisher
Wiley
Subject
General Chemical Engineering,Environmental Engineering,Biotechnology
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/aic.17686
Reference19 articles.
1. Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights
2. Direct calculation of liquid–vapor phase equilibria from transition matrix Monte Carlo simulation
3. Metastability and Instability in the Lennard-Jones Fluid Investigated by Transition-Matrix Monte Carlo,
4. Improving Computational Assessment of Porous Materials for Water Adsorption Applications via Flat Histogram Methods
5. Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon
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1. Monte Carlo molecular simulations with FEASST version 0.25.1;The Journal of Chemical Physics;2024-09-05
2. Avoiding pitfalls in molecular simulation of vapor sorption: Example of propane and isobutane in metal–organic frameworks for adsorption cooling applications;The Journal of Chemical Physics;2024-05-13
3. Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo;ACS Applied Materials & Interfaces;2024-05-06
4. Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks;The Journal of Physical Chemistry B;2024-04-27
5. Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations;J PHYS CHEM B;2023
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