Daniel W. Siderius

How Reproducible are Surface Areas Calculated from the BET Equation?

Johannes W. M. Osterrieth, James Rampersad, David G. Madden et al. · Advanced Materials · 2022 · 281 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]

Alan Grossfield, Paul N. Patrone, Daniel R. Roe et al. · Living Journal of Computational Molecular Science · 2018 · 177 citations · Full text

Natural Sciences, Chemistry, Physics +17

The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

Árni Sturluson, Melanie T. Huynh, Alec Kaija et al. · Molecular Simulation · 2019 · 131 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials

N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior et al. · Journal of Chemical & Engineering Data · 2023 · 99 citations · Full text

Natural Sciences, Chemical Engineering, Materials Science +17

Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries

Daniel W. Siderius, Lev D. Gelb · The Journal of Chemical Physics · 2011 · 89 citations

Natural Sciences, Chemistry, Materials Science +17