Simon J. Bennie

Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality

Simon J. Bennie, Kara E. Ranaghan, Helen M. Deeks et al. · Journal of Chemical Education · 2019 · 148 citations · Full text

Engineering, Imd-vr Component, Computational Chemistry +19

Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality

Silvia Amabilino, Lars Andersen Bratholm, Simon J. Bennie et al. · The Journal of Physical Chemistry A · 2019 · 105 citations · Full text

Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set

Simon J. Bennie, Martina Stella, Thomas F. Miller et al. · The Journal of Chemical Physics · 2015 · 80 citations · Full text

Quantum Dynamic, Engineering, Many-body Quantum Physic +25

A Projector-Embedding Approach for Multiscale Coupled-Cluster Calculations Applied to Citrate Synthase

Simon J. Bennie, Marc W. van der Kamp, Robert C. R. Pennifold et al. · Journal of Chemical Theory and Computation · 2016 · 74 citations · Full text

Engineering, Chemical Analysis, Molecular Biology +18

Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies

Simon J. Bennie, Basile F. E. Curchod, Frederick R. Manby et al. · The Journal of Physical Chemistry Letters · 2017 · 69 citations · Full text

Engineering, Excitation Energy Transfer, Computational Chemistry +16