Publications
New Insights Into The Role Of Hydrogen Bonding In Furanoside Binding To Protein. The Journal of Physical Chemistry B 2020, 124, 1919–1927.
. Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
. Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
. Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
. On The Quantum Mechanical Potential Of Mean Force. Ii. Constrained Path Integral Molecular Dynamics Integrators. arXiv preprint arXiv:2101.00762 2021.
. On The Quantum Mechanical Potential Of Mean Force. I. A Path Integral Perspective. arXiv preprint arXiv:2101.00761 2021.
. Deterministic And Quasi-Random Sampling Of Optimized Gaussian Mixture Distributions For Vibronic Monte Carlo. arXiv preprint arXiv:1912.11594 2019.
. Ground States Of Linear Rotor Chains Via The Density Matrix Renormalization Group. The Journal of chemical physics 2018, 148, 134115.
. Estimating Ground State Entanglement Entropy Using Path Integral Molecular Dynamics. In Recent Progress in Quantum Monte Carlo; American Chemical Society, 2016; pp. 145–154.
. A Path-Integral Langevin Equation Treatment Of Low-Temperature Doped Helium Clusters. The Journal of chemical physics 2012, 136, 224309.
. A Path-Integral Langevin Equation Treatment Of Low-Temperature Doped Helium Clusters. The Journal of chemical physics 2012, 136, 224309.
. A Path-Integral Langevin Equation Treatment Of Low-Temperature Doped Helium Clusters. The Journal of chemical physics 2012, 136, 224309.
. Three-Body Potential Energy Surface For Para-Hydrogen. The Journal of chemical physics 2022, 156, 044301.
. Equation Of State Of Solid Parahydrogen Using Ab Initio Two-Body And Three-Body Interaction Potentials. The Journal of Chemical Physics 2022, 157, 174503.
. Equation Of State And First Principles Prediction Of The Vibrational Matrix Shift Of Solid Parahydrogen. The Journal of chemical physics 2019, 151, 244501.
. Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics: A Possible Avenue To Recover Quantum Coherence. The Journal of chemical physics 2006, 125, 164103.
. Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2006; Vol. 231.
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