Publications
Operator Formulation Of Feynman Path Centroid Dynamics For Rotations. The Journal of Physical Chemistry A 2024, 128, 3419–3433.
. Quantum Criticality In Chains Of Planar Rotors With Dipolar Interactions. The Journal of Chemical Physics 2024, 160, 104302.
. Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. The Journal of Chemical Physics 2023, 158, 214103.
. On The Nature Of The Schottky Anomaly In Endohedral Water. The Journal of Chemical Physics 2023, 158, 124310.
. Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. arXiv preprint arXiv:2304.09410 2023.
. Quantum Criticality And Universal Behavior In Molecular Dipolar Lattices Of Endofullerenes. arXiv preprint arXiv:2304.09404 2023.
. Quantum Phase Transition In The One-Dimensional Water Chain. Physical Review Letters 2023, 130, 026201.
. Ferroelectric Water Chains In Carbon Nanotubes: Creation And Manipulation Of Ordered Quantum Phases. The Journal of Chemical Physics 2022, 157, 234301.
. On The Accuracy And Efficiency Of Different Methods To Calculate Raman Vibrational Shifts Of Parahydrogen Clusters. The Journal of Chemical Physics 2022, 156, 084102.
. Equation Of State Of Solid Parahydrogen Using Ab Initio Two-Body And Three-Body Interaction Potentials. The Journal of Chemical Physics 2022, 157, 174503.
. Ground State Chemical Potential Of Parahydrogen Clusters Of Size N= 21–40. The Journal of Chemical Physics 2022, 156, 016101.
. Ground State Of Asymmetric Tops With Dmrg: Water In One Dimension. The Journal of Chemical Physics 2022, 156, 044116.
. Path Integral Simulations Of Confined Parahydrogen Molecules Within Clathrate Hydrates: Merging Low Temperature Dynamics With The Zero-Temperature Limit. The Journal of Chemical Physics 2022, 156, 014303.
. Reaction-Intermediate-Induced Atomic Mobility In Heterogeneous Metal Catalysts For Electrochemical Reduction Of Co 2. Physical Chemistry Chemical Physics 2022, 24, 19432–19442.
. Roesy And 13 C Nmr To Distinguish Between D-And L-Rhamnose In The Α-D-Man P-(1→ 4)-Β-Rha P-(1→ 3) Repeating Motif. Organic & Biomolecular Chemistry 2022, 20, 2964–2980.
. Ro-Translational Dynamics Of Confined Water. I. The Confined Asymmetric Rotor Model. The Journal of Chemical Physics 2022, 156, 074304.
. Three-Body Potential Energy Surface For Para-Hydrogen. The Journal of chemical physics 2022, 156, 044301.
. A Path Integral Ground State Approach For Asymmetric Top Rotors With Nuclear Spin Symmetry: Application To Water Chains. The Journal of Chemical Physics 2021, 154, 244305.
. Comparison Of The Multi-Layer Multi-Configuration Time-Dependent Hartree (Ml-Mctdh) Method And The Density Matrix Renormalization Group (Dmrg) For Ground State Properties Of Linear Rotor Chains. The Journal of Chemical Physics 2021, 154, 174106.
. On The Quantum Mechanical Potential Of Mean Force. I. A Path Integral Perspective. arXiv preprint arXiv:2101.00761 2021.
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