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The Journal of Physical Chemistry. A|October 3, 2022
Graph-Driven Reaction Discovery: Progress, Challenges, and Future OpportunitiesIdil Ismail, Raphael Chantreau Majerus, Scott HabershonThe Journal of Chemical Physics|October 17, 2014
A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regressionWataru Mizukami, Scott Habershon, David P TewJournal of Chemical Theory and Computation|December 7, 2018
Improved on-the-Fly MCTDH Simulations with Many-Body-Potential Tensor Decomposition and Projection DiabatizationGareth W Richings, Christopher Robertson, Scott HabershonJournal of Chemical Theory and Computation|September 4, 2024
Contact-Map-Driven Exploration of Heterogeneous Protein-Folding PathsZiad Fakhoury, Gabriele C Sosso, Scott HabershonFaraday Discussions|April 25, 2019
Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?Gareth W Richings, Christopher Robertson, Scott HabershonThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 16, 2023
Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal SurfacesJames Gardner, Scott Habershon, Reinhard J MaurerJournal of Chemical Information and Modeling|March 30, 2023
Generating Protein Folding Trajectories Using Contact-Map-Driven Directed WalksZiad Fakhoury, Gabriele C Sosso, Scott HabershonThe Journal of Chemical Physics|July 17, 2009
Competing quantum effects in the dynamics of a flexible water modelScott Habershon, Thomas E Markland, David E ManolopoulosThe Journal of Chemical Physics|November 10, 2016
Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regressionJonathan P Alborzpour, David P Tew, Scott HabershonThe Journal of Chemical Physics|December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid waterScott Habershon, George S Fanourgakis, David E ManolopoulosPageof 6