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The Journal of Chemical Physics|November 5, 2005
Improvement of semiempirical response properties with charge-dependent response densityTimothy J Giese, Darrin M YorkThe Journal of Chemical Physics|February 20, 2008
Contracted auxiliary Gaussian basis integral and derivative evaluationTimothy J Giese, Darrin M YorkTheoretical Chemistry Accounts|June 14, 2016
Density-functional expansion methods: Grand challengesTimothy J Giese, Darrin M YorkJournal of Computational Chemistry|April 25, 2008
Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densitiesTimothy J Giese, Darrin M YorkThe Journal of Chemical Physics|May 24, 2011
Density-functional expansion methods: generalization of the auxiliary basisTimothy J Giese, Darrin M YorkJournal of Chemical Theory and Computation|February 2, 2021
Variational Method for Networkwide Analysis of Relative Ligand Binding Free Energies with Loop Closure and Experimental ConstraintsTimothy J Giese, Darrin M YorkThe Journal of Chemical Physics|May 1, 2023
Estimation of frequency factors for the calculation of kinetic isotope effects from classical and path integral free energy simulationsTimothy J Giese, Darrin M YorkMolecules (Basel, Switzerland)|June 19, 2024
Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine-Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning PotentialsYujun Tao, Timothy J Giese, Darrin M YorkThe Journal of Physical Chemistry. B|May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM ApplicationsTimothy J Giese, Jinzhe Zeng, Darrin M YorkThe Journal of Physical Chemistry. A|October 27, 2022
Multireference Generalization of the Weighted Thermodynamic Perturbation MethodTimothy J Giese, Jinzhe Zeng, Darrin M YorkPageof 18