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The Journal of Chemical Physics|July 1, 2022
Flexible multipole moments in smooth particle mesh EwaldBenjamin C B Symons, Paul L A PopelierJournal of Chemical Theory and Computation|August 8, 2022
Application of Quantum Chemical Topology Force Field FFLUX to Condensed Matter Simulations: Liquid WaterBenjamin C B Symons, Paul L A PopelierJournal of Computational Chemistry|October 27, 2020
On the many-body nature of intramolecular forces in FFLUX and its implicationsAnton Konovalov, Benjamin C B Symons, Paul L A PopelierJournal of Chemical Theory and Computation|October 7, 2021
DL_FFLUX: A Parallel, Quantum Chemical Topology Force FieldBenjamin C B Symons, Michael K Bane, Paul L A PopelierChemistryopen|May 9, 2019
Does the Intra-atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?Benjamin C B Symons, Dominic J Williamson, Campbell M Brooks, et al.Chemistryopen|May 9, 2019
Does the Intra-Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?Benjamin C B Symons, Dominic J Williamson, Campbell M Brooks, et al.Journal of Computational Chemistry|November 21, 2019
A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of ElectrostaticsZak E Hughes, Emmanuel Ren, Joseph C R Thacker, et al.The Journal of Physical Chemistry Letters|August 1, 2023
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing ApproachArseny Kovyrshin, Mårten Skogh, Lars Tornberg, et al.Journal of Chemical Theory and Computation|December 11, 2023
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural OrbitalsAnton Nykänen, Aaron Miller, Walter Talarico, et al.Pageof 1