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vergil.chemistry.gatech.edu

Sherrill Group

Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties

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Sherrill Group | vergil.chemistry.gatech.edu Reviews
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Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties
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Sherrill Group | vergil.chemistry.gatech.edu Reviews

https://vergil.chemistry.gatech.edu

Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties

INTERNAL PAGES

vergil.chemistry.gatech.edu vergil.chemistry.gatech.edu
1

The Sherrill Group: Opportunities

http://vergil.chemistry.gatech.edu/opp/index.html

Search the Sherrill Group. The annual Georgia Tech Summer Theory Program. Allows undergraduates who have completed their junior year to conduct summer research in theoretical chemistry at Georgia Tech. The application deadline is usually in early to mid February, and applications are competitive. Program. Interested students should consult the information about Georgia Tech's PhD program here. If you are interested in working with us, please contact Prof. David Sherrill at sherrill@gatech.edu.

2

PSI

http://vergil.chemistry.gatech.edu/psi

Search the Sherrill Group. The Sherrill group is one of the primary developers of the free, open-source quantum chemistry package PSI. If you have comments or suggestions, email sherrill@gatech.edu.

3

The Sherrill Group: News and Information

http://vergil.chemistry.gatech.edu/courses/index.html

Search the Sherrill Group. Recent Courses Taught at Georgia Tech. Detailed information available on T-square. CHEM 1310: General Chemistry (Honors) ( syllabus. CHEM 3412: Physical Chemistry II ( syllabus. CHEM 6485: Computational Chemistry ( syllabus. CHEM 6491: Quantum Mechanics ( syllabus. NSF cCWCS Workshop in Computational and Theoretical Chemistry ( webpage. Computer programming in Perl ( webpage. Computer programming in Python ( webpage. Computer programming in C ( webpage.

4

The Sherrill Group: News and Information

http://vergil.chemistry.gatech.edu/news

Search the Sherrill Group. Professor Andreas Hesselmann will visit us Thursday and Friday, October 6-7. Professor Ugur Bozkaya will visit us Monday-Saturday, October 3-8. July 2016: The Sherrill group welcomes new graduate students Matt Schieber and Constance Warden. October 28, 2015: The group cluster Hexagon. Has been upgraded to 15 nodes. February, 2015: Rob Parrish was named to Forbes Magazine's 30 Under 30 in Science. Sept 30, 2014: The group cluster Hexagon. By Chemical and Engineering News about h...

5

The Sherrill Group: Notes

http://vergil.chemistry.gatech.edu/notes/index.html

Search the Sherrill Group. Notes on Quantum Chemistry. These notes on Quantum Chemistry were written by Professor David Sherrill as a resource for students at the college through post-graduate level interested in quantum mechanics and how it is used in chemistry. A Brief Review of Elementary Quantum Chemistry. Has been used by college students and curious high-school students worldwide. Other notes have been used in the NSF Workshop on Theoretical and Computational Chemistry. Notes on Density Fitting.

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Brédas Group Collaborators

http://bredators.gatech.edu/collaborators

The Brédas Research Group. School of Chemistry and Biochemistry. Sister Brédas-Group (University Mons-Hainaut, Belgium). Center for Computational Molecular Science and Technology. Prof D. Sherrill (Georgia Institute of Technology). Center for Organic Photonics and Electronics (COPE). Prof S.M. Marder. Prof J.W. Perry. Prof B. Kippelen (Electrical and Computer Engineering). Prof U. Bunz. Organic Electronics Association (OE-A) - VDMA. CMDITR The Point K-12 Interactive Collection. The Brédas Research Group.

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Sherrill Group

Search the Sherrill Group. School of Chemistry and Biochemistry. Georgia Institute of Technology. 901 Atlantic Drive NW. Atlanta, GA 30332-0400. Delivery address: 311 Ferst Drive NW. Phone (Prof. Sherrill): 404-894-4037. Molecular Science and Engineering Building. Rooms 4201 (Group) and 2100N (Prof. Sherrill). Brief Review of Elementary Quantum Chemistry. Biofragment Database, BFDb. Georgia Institute of Technology.

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