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Sebastian J R Lee

Showing results (1-10 of 6) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 9, 2016
Intermolecular interactions and proton transfer in the hydrogen halide-superoxide anion complexesSebastian J R Lee, J Wayne Mullinax, Henry F Schaefer
The Journal of Chemical Physics|April 3, 2021
Analytical gradients for molecular-orbital-based machine learningSebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
Accounts of Chemical Research|April 11, 2019
Projection-Based Wavefunction-in-DFT EmbeddingSebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics|February 16, 2021
Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition statesTamara Husch, Jiace Sun, Lixue Cheng, et al.
The Journal of Physical Chemistry. A|June 17, 2022
Fast Near <i>Ab Initio</i> Potential Energy Surfaces Using Machine LearningFenris Lu, Lixue Cheng, Ryan J DiRisio, et al.
The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|February 9, 2016
Intermolecular interactions and proton transfer in the hydrogen halide-superoxide anion complexesSebastian J R Lee, J Wayne Mullinax, Henry F Schaefer
The Journal of Chemical Physics|April 3, 2021
Analytical gradients for molecular-orbital-based machine learningSebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
Accounts of Chemical Research|April 11, 2019
Projection-Based Wavefunction-in-DFT EmbeddingSebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics|February 16, 2021
Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition statesTamara Husch, Jiace Sun, Lixue Cheng, et al.
The Journal of Physical Chemistry. A|June 17, 2022
Fast Near <i>Ab Initio</i> Potential Energy Surfaces Using Machine LearningFenris Lu, Lixue Cheng, Ryan J DiRisio, et al.
The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Pageof 1