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Biophysical Journal|September 4, 2022
Predicting accurate ab initio DNA electron densities with equivariant neural networksAlex J Lee, Joshua A Rackers, William P BrickerPlos One|February 15, 2024
Building an ab initio solvated DNA model using Euclidean neural networksAlex J Lee, Joshua A Rackers, Shivesh Pathak, et al.The Journal of Chemical Physics|January 7, 2023
Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis setsShivesh Pathak, Ignacio Ema López, Alex J Lee, et al.The Journal of Chemical Physics|March 3, 2019
Classical Pauli repulsion: An anisotropic, atomic multipole modelJoshua A Rackers, Jay W PonderThe Journal of Chemical Physics|September 9, 2018
A physically grounded damped dispersion model with particle mesh Ewald summationJoshua A Rackers, Chengwen Liu, Pengyu Ren, et al.Journal of Chemical Information and Modeling|June 25, 2025
Strain Problems Got You in a Twist? Try StrainRelief: A Quantum-Accurate Tool for Ligand Strain CalculationsEwan R S Wallace, Nathan C Frey, Joshua A RackersJournal of Chemical Theory and Computation|October 26, 2021
Polarizable Water Potential Derived from a Model Electron DensityJoshua A Rackers, Roseane R Silva, Zhi Wang, et al.The Journal of Physical Chemistry. B|July 10, 2014
Excitation energy transfer in the peridinin-chlorophyll a-protein complex modeled using configuration interactionWilliam P Bricker, Cynthia S LoThe Journal of Physical Chemistry. B|April 14, 2015
Efficient pathways of excitation energy transfer from delocalized S2 excitons in the peridinin-chlorophyll a-protein complexWilliam P Bricker, Cynthia S LoThe Journal of Physical Chemistry. B|September 27, 2022
Classical Exchange Polarization: An Anisotropic Variable Polarizability ModelMoses K J Chung, Zhi Wang, Joshua A Rackers, et al.Pageof 6