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Sebastian J R Lee

3PUBLICATIONS

48CO-AUTHORS

Programming languagesMathematical aspects of general relativityStatistical mechanics in chemistry

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Publications (3)

Sort by Publication Date:

|Dec 02, 2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Apr 03, 2021

Analytical gradients for molecular-orbital-based machine learning.

Sebastian J R Lee, Tamara Husch, Feizhi Ding

|Feb 16, 2021

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states.

Tamara Husch, Jiace Sun, Lixue Cheng

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Frequent Collaborators

2 joint publications

Thomas F Miller

1 joint publications

Lixue Cheng

1 joint publications

Daniel G A Smith

1 joint publications

Annabelle T Lolinco

1 joint publications

Zachary L Glick

1 joint publications

Jiyoung Lee

1 joint publications

Asem Alenaizan

1 joint publications

Taylor A Barnes

1 joint publications

Carlos H Borca

1 joint publications

Roberto Di Remigio

Frequent Collaborators

2 joint publications

Thomas F Miller

1 joint publications

Lixue Cheng

1 joint publications

Daniel G A Smith

1 joint publications

Annabelle T Lolinco

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