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The Journal of Chemical Physics|August 6, 2026
Δ-learning for transferable machine learning interatomic potentialsNguyen Thien Phuc Tu, Christopher N RowleyThe Journal of Physical Chemistry. B|August 21, 2024
Modeling Intermolecular Interactions with Exchange-Hole Dipole Moment Dispersion Corrections to Neural Network PotentialsNguyen Thien Phuc Tu, Siri Williamson, Erin R Johnson, et al.The Journal of Physical Chemistry. B|November 21, 2025
Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic MoleculesNguyen Thien Phuc Tu, Alexander L M Knoll, Jörg Behler, et al.Journal of the American Chemical Society|February 15, 2024
Controlling Reactivity and Selectivity in the Mizoroki-Heck Reaction: High Throughput Evaluation of 1,5-Diaza-3,7-diphosphacyclooctane LigandsEric S Isbrandt, Devon E Chapple, Nguyen Thien Phuc Tu, et al.Journal of Chemical Theory and Computation|November 24, 2015
The Solvation Structure of Na(+) and K(+) in Liquid Water Determined from High Level ab Initio Molecular Dynamics SimulationsChristopher N Rowley, Benoıt RouxPeerj|June 10, 2016
An explicit-solvent conformation search method using open softwareKari Gaalswyk, Christopher N RowleyJournal of the American Chemical Society|October 18, 2014
Why can hydrogen sulfide permeate cell membranes?Saleh Riahi, Christopher N RowleyThe Journal of Physical Chemistry. B|April 10, 2013
A Drude polarizable model for liquid hydrogen sulfideSaleh Riahi, Christopher N RowleyThe Journal of Chemical Physics|October 9, 2020
An efficient and accurate model for water with an improved non-bonded potentialMohamad Mohebifar, Christopher N RowleyJournal of Computational Chemistry|September 3, 2014
The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state propertiesSaleh Riahi, Christopher N RowleyPageof 6