Daniel W. Siderius

National Institute of Standards and Technology — United States

Engineering · Physical Sciences

20h-index1.8kcitations81works4.32yr avg
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Research Topics

Phase Equilibria and Thermodynamics(32), Metal-Organic Frameworks: Synthesis and Applications(30), Catalytic Processes in Materials Science(21), Machine Learning in Materials Science(16), Material Dynamics and Properties(14)

Publications81 total

A minimal-parameterization of the single-solute breakthrough-curve model: Statistical and predictive inference
Chemical Engineering Science·2025
Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and Nitrogen
The Journal of Physical Chemistry B·2025· 1 citedOpen Access
Intrinsic Direct Air Capture
arXiv (Cornell University)·2025Open Access
Elucidating Thermodynamically Driven Structure–Property Relations for Zeolite Adsorption Using Neural Networks
JACS Au·2024· 7 citedOpen Access
Progress in development of characterization capabilities to evaluate candidate materials for direct air capture applications
Journal of CO2 Utilization·2024· 1 citedOpen Access
Monte Carlo molecular simulations with FEASST version 0.25.1
The Journal of Chemical Physics·2024· 9 cited
Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks
The Journal of Physical Chemistry B·2024· 12 citedOpen Access
Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations
The Journal of Physical Chemistry B·2023· 8 cited
MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials
Journal of Chemical & Engineering Data·2023· 87 citedOpen Access
MOFX-DB: An online database of computational adsorption data for nanoporous materials.
2022Open Access
Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption
The Journal of Physical Chemistry B·2022· 12 citedOpen Access
Reproducible sorbent materials foundry for carbon capture at scale
Cell Reports Physical Science·2022· 3 citedOpen Access
Reproducible Sorbent Materials Foundry for Carbon Capture at Scale
arXiv (Cornell University)·2022Open Access
Preface to Adsorption and Diffusion in Porous Materials Special Issue: Equilibrium Adsorption Data for Energy and Environmental Applications
Journal of Chemical & Engineering Data·2022· 1 cited
How Reproducible are Surface Areas Calculated from the BET Equation? (Adv. Mater. 27/2022)
Advanced Materials·2022· 7 cited
How Reproducible are Surface Areas Calculated from the BET Equation?
Advanced Materials·2022· 253 citedOpen Access
Graph neural network predictions of metal organic framework CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e488" altimg="si38.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> adsorption properties
Computational Materials Science·2022· 76 citedOpen Access
Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”
AIChE Journal·2022· 9 cited
Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks
Journal of Chemical & Engineering Data·2022· 24 citedOpen Access
How Reproducible Are Surface Areas Calculated from the BET Equation?
2022· 3 citedOpen Access
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Frequent Co-authors

Vincent K. Shen(18), David S. Corti(7), Harold W. Hatch(7), Yamil J. Colón(6), Randall Q. Snurr(6), W. Wong‐Ng(6), Johannes W. M. Osterrieth(5), Nakul Rampal(5), Luka Skorić(5), Bethany Connolly(5), Vitalie Stavila(5), Rob Ameloot(5), Conchi O. Ania(5), Diana C. S. Azevedo(5), Enrique Vilarrasa‐García(5), Xian‐He Bu(5), Hana Bunzen(5), Neil R. Champness(5), Sarah L. Griffin(5), Banglin Chen(5)