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The Journal of Physical Chemistry. B|April 27, 2024
Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal-Organic FrameworksDaniel W Siderius, Harold W Hatch, Vincent K Shen
The Journal of Physical Chemistry. B|September 28, 2022
Temperature Extrapolation of Henry's Law Constants and the Isosteric Heat of AdsorptionDaniel W Siderius, Harold W Hatch, Vincent K Shen
The Journal of Chemical Physics|September 5, 2024
Monte Carlo molecular simulations with FEASST version 0.25.1Harold W Hatch, Daniel W Siderius, Vincent K Shen
The Journal of Physical Chemistry. B|March 28, 2023
Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo SimulationsHarold W Hatch, Daniel W Siderius, Jeffrey R Errington, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 1, 2021
Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite AdsorbentsChristopher Rzepa, Daniel W Siderius, Harold W Hatch, et al.
The Journal of Chemical Physics|December 29, 2025
Development of SAFT-based heteronuclear fused coarse-grained models of short alkanes and their mixtures with carbon dioxide and nitrogenAlexandros Chremos, Harold W Hatch, Daniel W Siderius
The Journal of Physical Chemistry. B|March 21, 2025
Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and NitrogenAlexandros Chremos, William P Krekelberg, Harold W Hatch, et al.
JACS Au|December 30, 2024
Elucidating Thermodynamically Driven Structure-Property Relations for Zeolite Adsorption Using Neural NetworksChristopher Rzepa, Devin Dabagian, Daniel W Siderius, et al.
The Journal of Chemical Physics|July 3, 2014
Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methodsVincent K Shen, Daniel W Siderius
The Journal of Chemical Physics|May 3, 2015
Computational study of trimer self-assembly and fluid phase behaviorHarold W Hatch, Jeetain Mittal, Vincent K Shen
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