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Keith Lab in Computational Chemistry | John A. Keith

Keith Research Group at Pitt: Home

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Keith Lab in Computational Chemistry | John A. Keith | klic.pitt.edu Reviews
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Keith Research Group at Pitt: Home
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2 research
3 motivation
4 methodologies
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6 modeling
7 reactive potential development
8 conformer scoring
9 materials
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Keith Lab in Computational Chemistry | John A. Keith | klic.pitt.edu Reviews

https://klic.pitt.edu

Keith Research Group at Pitt: Home

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1

Solomon Astley | John A. Keith

http://www.klic.pitt.edu/group/group-alumni/solomon-astley.html

John A. Keith. Efficient searches through chemical space with alchemy. Improved modeling of chemical interactions in solvent phase. Atomistic potential development for nanoscale simulations. Assessments of classical forcefields for conformational searches. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Department of Chemical and Petroleum Engineering. Swanson School of Engineering,. Pittsburgh, PA 15261. Email: jakeith[.at.]pitt.edu. Office: 412-624-7016 Fax: 412-624-9639.

2

Group | John A. Keith

http://www.klic.pitt.edu/group

John A. Keith. Efficient searches through chemical space with alchemy. Improved modeling of chemical interactions in solvent phase. Atomistic potential development for nanoscale simulations. Assessments of classical forcefields for conformational searches. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Department of Chemical and Petroleum Engineering. Swanson School of Engineering,. Pittsburgh, PA 15261. Email: jakeith[.at.]pitt.edu. Office: 412-624-7016 Fax: 412-624-9639. Bachelors...

3

Dinesh Deva | John A. Keith

http://www.klic.pitt.edu/group/group-alumni/dinesh-deva.html

John A. Keith. Efficient searches through chemical space with alchemy. Improved modeling of chemical interactions in solvent phase. Atomistic potential development for nanoscale simulations. Assessments of classical forcefields for conformational searches. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Department of Chemical and Petroleum Engineering. Swanson School of Engineering,. Pittsburgh, PA 15261. Email: jakeith[.at.]pitt.edu. Office: 412-624-7016 Fax: 412-624-9639.

4

Principal Investigator | John A. Keith

http://www.klic.pitt.edu/group/principal-investigator

John A. Keith. Efficient searches through chemical space with alchemy. Improved modeling of chemical interactions in solvent phase. Atomistic potential development for nanoscale simulations. Assessments of classical forcefields for conformational searches. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Department of Chemical and Petroleum Engineering. Swanson School of Engineering,. Pittsburgh, PA 15261. Email: jakeith[.at.]pitt.edu. Office: 412-624-7016 Fax: 412-624-9639.

5

Yinan Kang | John A. Keith

http://www.klic.pitt.edu/group/group-alumni/yinan-kang.html

John A. Keith. Efficient searches through chemical space with alchemy. Improved modeling of chemical interactions in solvent phase. Atomistic potential development for nanoscale simulations. Assessments of classical forcefields for conformational searches. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Department of Chemical and Petroleum Engineering. Swanson School of Engineering,. Pittsburgh, PA 15261. Email: jakeith[.at.]pitt.edu. Office: 412-624-7016 Fax: 412-624-9639.

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Keith Lab in Computational Chemistry | John A. Keith

John A. Keith. Efficient searches through chemical space with alchemy. Explicitly modeling aqueous phase reactions. Improved mixed continuum and explicit solvation models. Molecular and material design for efficient electroreductions. John A. Keith. Mitchell C. Groenenboom. Recent News / Future Events. Keith Lab in Computational Chemistry. We apply and develop computational chemistry methods to understand problems at the interface of basic science and engineering. FEBRUARY 3, 2017.

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