Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality. - Silvia Amabilino; Lars A. Bratholm; Simon J. Bennie; Alain C. Vaucher; Markus Reiher; David R. Glowacki (CoRR, 2019)

An open-source multi-person virtual reality framework for interactive molecular dynamics: from quantum chemistry to drug binding. - Michael B. O'Connor; Simon J. Bennie; Helen M. Deeks; Alexander Jamieson-Binnie; Alex J. Jones; Robin J. Shannon; Rebecca Walters; Thomas J. Mitchell; Adrian J. Mulholland; David R. Glowacki (CoRR, 2019)

Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. - Kara E. Ranaghan; Darya Shchepanovska; Simon J. Bennie; Narin Lawan; Stephen J. Macrae; Jolanta Zurek; Frederick R. Manby; Adrian J. Mulholland (J. Chem. Inf. Model., 2019)

Narupa iMD: A VR-Enabled Multiplayer Framework for Streaming Interactive Molecular Simulations. - Alexander D. Jamieson-Binnie; Michael B. O'Connor; Jonathan Barnoud; Mark D. Wonnacott; Simon J. Bennie; David R. Glowacki (SIGGRAPH Immersive Pavilion, 2020)

Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach. - Oscar A. Douglas-Gallardo; Ian Shepherd; Simon J. Bennie; Kara E. Ranaghan; Adrian J. Mulholland; Esteban Vöhringer-Martinez (J. Comput. Chem., 2020)

A Virtual and Mixed Reality Platform for Molecular Design & Drug Discovery - Nanome Version 1.24. - Simon J. Bennie; Martina Maritan; Jonathon Gast; Marc Loschen; Daniel Gruffat; Roberta Bartolotta; Sam Hessenauer; Edgardo Leija; Steve McCloskey (MolVA@EuroVis, 2023)