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The Journal of Chemical Physics
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March 8, 2023
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine
Yi Xie, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
September 1, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
Derek P Metcalf, Andrew Smith, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
The Journal of Chemical Physics
|
August 2, 2024
A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
David Poole, David B Williams-Young, Andy Jiang, et al.
Scientific Data
|
September 12, 2023
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
Steven A Spronk, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
February 8, 2023
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
Caroline T Sargent, Derek P Metcalf, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 15, 2023
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
Carlos H Borca, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
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of 2
Search research articles
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Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
March 8, 2023
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine
Yi Xie, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
September 1, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
Derek P Metcalf, Andrew Smith, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
The Journal of Chemical Physics
|
August 2, 2024
A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
David Poole, David B Williams-Young, Andy Jiang, et al.
Scientific Data
|
September 12, 2023
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
Steven A Spronk, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
February 8, 2023
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
Caroline T Sargent, Derek P Metcalf, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 15, 2023
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
Carlos H Borca, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
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