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The Journal of Chemical Physics
|
February 17, 2026
Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation
Mathew Chow, Eno Paenurk, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
November 20, 2024
Nuclear Quantum Effects in Quantum Mechanical/Molecular Mechanical Free Energy Simulations of Ribonucleotide Reductase
Mathew Chow, Clorice R Reinhardt, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
October 19, 2023
Nuclear-Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time Dynamics
Mathew Chow, Tao E Li, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
June 17, 2023
Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
Mathew Chow, Eleftherios Lambros, Xiaosong Li, et al.
Journal of the American Chemical Society
|
September 28, 2025
Reliable p<i>K</i><sub>a</sub> Prediction through Efficient Incorporation of Anharmonicity within the Nuclear-Electronic Orbital Framework
Jang Mok Yoo, Mathew Chow, Eno Paenurk, et al.
The Journal of Chemical Physics
|
June 15, 2026
Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework
Joseph A Dickinson, Mathew Chow, Eno Paenurk, et al.
The Journal of Physical Chemistry Letters
|
March 21, 2023
Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
The Journal of Physical Chemistry. A
|
October 27, 2023
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
The Journal of Physical Chemistry. A
|
September 26, 2022
Simultaneous Optimization of Nuclear-Electronic Orbitals
Aodong Liu, Mathew Chow, Andrew Wildman, et al.
Page
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 17, 2026
Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation
Mathew Chow, Eno Paenurk, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
November 20, 2024
Nuclear Quantum Effects in Quantum Mechanical/Molecular Mechanical Free Energy Simulations of Ribonucleotide Reductase
Mathew Chow, Clorice R Reinhardt, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
October 19, 2023
Nuclear-Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time Dynamics
Mathew Chow, Tao E Li, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
June 17, 2023
Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
Mathew Chow, Eleftherios Lambros, Xiaosong Li, et al.
Journal of the American Chemical Society
|
September 28, 2025
Reliable p<i>K</i><sub>a</sub> Prediction through Efficient Incorporation of Anharmonicity within the Nuclear-Electronic Orbital Framework
Jang Mok Yoo, Mathew Chow, Eno Paenurk, et al.
The Journal of Chemical Physics
|
June 15, 2026
Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework
Joseph A Dickinson, Mathew Chow, Eno Paenurk, et al.
The Journal of Physical Chemistry Letters
|
March 21, 2023
Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
The Journal of Physical Chemistry. A
|
October 27, 2023
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
The Journal of Physical Chemistry. A
|
September 26, 2022
Simultaneous Optimization of Nuclear-Electronic Orbitals
Aodong Liu, Mathew Chow, Andrew Wildman, et al.
Page
of 1