Publications
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.
. 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.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
. Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
. Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
. Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
. Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
. Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
. Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Accurate Reduction In Zero-Point Energy. The Journal of chemical physics 2005, 123, 084103.
. Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Accurate Reduction In Zero-Point Energy. The Journal of chemical physics 2005, 123, 084103.
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