Atomic scale modeling of polymerization catalysts. - Tom K. Woo; Serguei Patchkovskii; Tom Ziegler (Comput. Sci. Eng., 2000)

Inverse design of nanoporous crystalline reticular materials with deep generative models. - Zhenpeng Yao; Benjamín Sánchez-Lengeling; N. Scott Bobbitt; Benjamin J. Bucior; Sai Govind Hari Kumar; Sean P. Collins; Thomas Burns; Tom K. Woo; Omar K. Farha; Randall Q. Snurr; Alán Aspuru-Guzik (Nat. Mach. Intell., 2021)

Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular Simulation. - Marco Gibaldi; Anna Kapeliukha; Andrew White; Tom K. Woo (J. Chem. Inf. Model., 2025)