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The Journal of Chemical Physics|April 24, 2020
A new diabatization scheme for direct quantum dynamics: Procrustes diabatizationGareth W Richings, Scott HabershonProceedings. Mathematical, Physical, and Engineering Sciences|June 8, 2017
Photosynthetic pigment-protein complexes as highly connected networks: implications for robust energy transportLewis A Baker, Scott HabershonMolecules (Basel, Switzerland)|December 24, 2021
Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality ReductionGareth W Richings, Scott HabershonChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 18, 2006
Determining molecular structures and conformations directly from electron diffraction using a genetic algorithmScott Habershon, Ahmed H ZewailThe Journal of Chemical Physics|September 17, 2015
Robustness, efficiency, and optimality in the Fenna-Matthews-Olson photosynthetic pigment-protein complexLewis A Baker, Scott HabershonThe Journal of Chemical Physics|December 17, 2017
Accelerated path-integral simulations using ring-polymer interpolationSamuel J Buxton, Scott HabershonJournal of Chemical Theory and Computation|June 1, 2017
Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis SetsMaximilian A C Saller, Scott HabershonJournal of Chemical Theory and Computation|November 18, 2015
Basis set generation for quantum dynamics simulations using simple trajectory-based methodsMaximilian A C Saller, Scott HabershonJournal of the American Chemical Society|March 13, 2026
Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program SynthesisKyle Acheson, Rastislav Turanyi, Scott HabershonThe Journal of Chemical Physics|October 17, 2019
The role of nuclear quantum effects in the relative stability of hexagonal and cubic iceSamuel J Buxton, David Quigley, Scott HabershonPageof 6