An interacting quantum atom study of model SN2 reactions (X-···CH3X, X = F, Cl, Br, and I). - Ibon Alkorta; Joseph C. R. Thacker; Paul L. A. Popelier (J. Comput. Chem., 2018)

A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics. - Zak E. Hughes; Emmanuel Ren; Joseph C. R. Thacker; Benjamin C. B. Symons; Arnaldo F. Silva; Paul L. A. Popelier (J. Comput. Chem., 2020)

Domain Knowledge Injection in Bayesian Search for New Materials. - Zikai Xie; Xenophon Evangelopoulos; Joseph C. R. Thacker; Andrew I. Cooper (ECAI, 2023)