Simon J. Bennie

According to our database, Simon J. Bennie authored at least 5 papers between 2019 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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

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

Proceedings of the SIGGRAPH 2020: Special Interest Group on Computer Graphics and Interactive Techniques Conference, 2020

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

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

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