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Angewandte Chemie (International Ed. in English)|October 1, 2025
Best-Practice Reporting for Porous Materials Adsorption DataDaniel W Siderius, Jack D Evans, Paul Iacomi, et al.The Journal of Chemical Physics|November 23, 2015
Relation between pore size and the compressibility of a confined fluidGennady Y Gor, Daniel W Siderius, Christopher J Rasmussen, et al.Living Journal of Computational Molecular Science|December 12, 2018
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.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.Fluid Phase Equilibria|April 16, 2019
The Ninth Industrial Fluid Properties Simulation ChallengeJonathan D Moore, Raymond D Mountain, Richard B Ross, et al.Journal of Chemical Information and Modeling|October 15, 2020
Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural NetworksAlex D Casey, Steven F Son, Ilias Bilionis, et al.Biointerphases|April 4, 2018
Femtosecond laser desorption ionization mass spectrometry imaging and multivariate analysis of lipids in pancreatic tissueAmy V Walker, Lev D Gelb, Grant E Barry, et al.Journal of Chemical Information and Modeling|October 14, 2022
Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning ApproachJoshua L Lansford, Brian C Barnes, Betsy M Rice, et al.Journal of Chemical Information and Modeling|June 23, 2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis PlanningMichael E Fortunato, Connor W Coley, Brian C Barnes, et al.Pageof 7