|
Luke Kurfman
|
NSF Graduate Fellowship, 2024
|
|
|
Isabel Berry
|
DOE Computational Science Graduate Fellowship, 2024
|
|
|
Caroline Sargent
|
NSF Graduate Fellowship, 2023
|
|
|
Austin Wallace
|
NSF Graduate Fellowship, 2022
|
|
|
Derek Metcalf
|
NSF Graduate Fellowship, 2020
|
|
|
Derek Metcalf
|
SETCA Poster Award, 2019
|
|
|
Dominic Sirianni
|
Larry S. O'Hara Fellowship, GT College of Sciences, 2019
|
|
|
Mike Zott
|
Undergraduate Award in Physical Chemistry, 2018
|
|
|
Mike Zott
|
Peter B. Sherry Memorial Scholarship - Outstanding Senior, 2018
|
|
|
Dominic Sirianni
|
SETCA Best Student Lecture, 2017
|
|
|
Mike Zott
|
SETCA Undergraduate Poster Award, 2017
|
|
|
Leonardo dos Anjos Cunha
|
3rd Place, SETCA Undergraduate Poster Award, 2016
|
|
|
Chris Cook
|
1st Place, SETCA Undergraduate Poster Award, 2015
|
|
|
Robert Parrish
|
Georgia Tech Chih Award, 2015
|
|
|
Robert Parrish
|
Forbes 30 Under 30 in Science, 2015
|
|
|
Robert Parrish
|
ACS Graduate Student Award in Computational Physical Chemistry,
2013
|
|
|
Robert Parrish
|
1st Place, GT Chemistry Graduate Student Awards Symposium, 2013
|
|
|
Robert Parrish
|
2nd Place Poster Prize, Molecular Quantum Mechanics: An International
Conference in Honor of Prof. Rodney Bartlett, 2013
|
|
|
Robert Parrish
|
Travel Award, Georgia Tech Research and Innovation Conference, 2013
|
|
|
Robert Parrish
|
1st Place, SETCA Student Poster Award, 2012
|
|
|
Michael Marshall
|
3rd Place, GT Chemistry Graduate Student Awards Symposium, 2011
|
|
|
Robert Parrish
|
DOE Computational Sciences Graduate Fellowship, 2011
|
|
|
Edward Hohenstein
|
1st Place, SETCA Student Poster Award, 2011
|
|
|
Robert Parrish
|
2nd Place, SETCA Student Poster Award, 2011
|
|
|
Edward Hohenstein
|
1st Place, GT Chemistry Graduate Student Awards Symposium, 2010
|
|
|
Tait Takatani
|
Finalist, GT Chemistry Graduate Student Awards Symposium, 2009
|
|
|
Edward Hohenstein
|
SETCA Student Poster Award, 2008
|
|
|
Ashley Ringer
|
Finalist, GT Chemistry Graduate Student Awards Symposium, 2008
|
|
|
Ashley Ringer
|
Iota Sigma Pi Anna Louise Hoffman Award for Outstanding
Graduate Research, 2008
|
|
|
Ashley Ringer
|
National P.E.O. Fellowship, 2007
|
|
|
Berhane Temelso
|
3rd Place, House-Flaschka-Ashby Graduate Student Awards Symposium,
2006
|
|
|
Berhane Temelso
|
Distinguished Student Award, Foresight Nanotechnology Institute,
2006
|
|
|
Ashley Ringer
|
Best Poster, 14th Conference on Current Trends in Computational
Chemistry, Jackson, MS, 2005
|
|
|
Arteum Bochevarov
|
Finalist, House-Flaschka-Ashby Graduate Student Awards Symposium,
2005
|
|
Ashley Ringer
|
SETCA Graduate Student Poster Award, 2005
|
|
Ashley Ringer
|
NSF Graduate Fellowship, 2005
|
|
Ashley Ringer
|
Department of Energy Computational Sciences
Graduate Fellowship (declined), 2005
|
|
Berhane Temelso
|
Sanibel Graduate Student Poster Award, 2005
|
|
Micah Abrams
|
1st Place, House-Flaschka-Ashby
Graduate Student Awards Symposium, 2004
|
|
Micah Abrams
|
SETCA Best Student Lecture, 2004
|
|
Mutasem Sinnokrot
|
1st Place, House-Flaschka-Ashby
Graduate Student Awards Symposium, 2003
|
|
John Sears
|
SETCA Best Student Poster, 2003
|
|
Mutasem Sinnokrot
|
Molecular Design Institute Fellowship, 2002-2004
|
| |
|
Name
|
Position in Group
|
Current Position (if known)
|
Time with Group
|
Project(s)
|
|
Jaden Yon
|
NSF REU Undergraduate
|
|
5/23-8/23
|
vdW dimers
|
|
Andy Jiang
|
Undergraduate
|
Graduate Student, UGA
|
1/20-8/23
|
JK classes, CC code
|
|
Dr. Rameshwar Kumawat
|
Postdoc
|
Postdoc, Northwestern
|
11/21-5/23
|
intermolecular interactions
|
|
Dr. Zach Glick
|
Graduate student
|
Lavo Life Sciences
|
8/18-10/22
|
AP-Net, machine learning
|
|
Dr. Derek Metcalf
|
Graduate student
|
Lavo Life Sciences
|
6/18-10/22
|
EPNN, machine learning
|
|
Prof. Jeff Schriber
|
Postdoc
|
Asst. Prof., Iona College
|
5/19-7/22
|
CLIFF Force Field
|
|
Dr. Yi Xie
|
Graduate student
|
Tik Tok
|
7/17-6/22
|
SAPT(DFT)
|
|
Andrew Smith
|
NSF REU Undergraduate
|
|
5/21-7/21
|
Molecular crystals
|
|
Matthew Shammami
|
NSF REU Undergraduate
|
|
5/21-9/21
|
Solute-solvent interactions
|
|
Prof. Asim Alenaizan
|
Graduate Student
|
King Fahd University of Petroleum and Minerals
|
8/16-5/21
|
Biomolecular structure and self-assembly
|
|
Joseph O'Brien
|
Graduate Student
|
PTC Therapeutics
|
8/18-12/20
|
SCF Algorithms
|
|
Dr. Carlos Borca
|
Postdoc
|
DeepCure
|
9/17-3/20
|
Molecular crystals
|
|
Tom Regan
|
NSF REU Undergraduate
|
|
5/19-7/19
|
Focal-point frequencies
|
|
Prof. Daniel Nascimento
|
Postdoc
|
University of Memphis
|
2/18-3/19
|
Machine Learning and Databases
|
|
Prof. Dominic Sirianni
|
Graduate Student
|
Asst. Prof., Daemen University
|
7/15-3/20
|
Methods for non-covalent interactions
|
|
Donna Odhiambo
|
NSF REU Undergraduate
|
|
5/18-7/18
|
Non-covalent interactions
|
|
Constance Warden
|
Graduate Student
|
|
7/16-5/18
|
Focal-point methods; S-pi interactions
|
|
Matt Schieber
|
Graduate Student
|
Smartleaf, Inc.
|
5/16-5/18
|
Density fitting infrastructure
|
|
Dr. Brandon Bakr
|
Graduate Student
|
Epic Systems
|
8/13-5/18
|
SAPT for organocatalysis
|
|
Mike Zott
|
Undergraduate
|
Graduate Student, CalTech
|
8/15-8/17
|
Clusters, Psi4/OpenMM interface
|
|
Nick Petosa
|
Undergraduate
|
|
8/16-5/17
|
Database backend
|
|
Dr. Daniel Smith
|
Research Scientist
|
Abiologics
|
1/16-3/17
|
Psi4 infrastructure and features
|
|
Dr. Ryan Richard
|
Postdoc
|
Research Scientist, Iowa State
|
1/14-3/17
|
IPs/EAs, clusters, interoperability
|
|
Marvin Lechner
|
Masters exchange student
|
Graduate student, University of Bonn
|
8/16-12/16
|
Time-dependent DFT
|
|
Trent Parker
|
Graduate student
|
Google, Inc.
|
6/11-7/16
|
Non-covalent Interactions in DNA
|
|
Leonardo dos Anjos Cunha
|
Undergrad exchange student
|
Graduate student, UC Berkeley
|
8/15-7/16
|
Open-shell SAPT
|
|
Dr. Jerome Gonthier
|
Postdoc
|
Zapata Computing
|
3/14 - 7/16
|
Open-shell SAPT
|
|
Seth Polansky
|
NSF REU Undergraduate
|
|
5/16 - 7/16
|
Ab initio force fields
|
|
Omar Hayek
|
Undergraduate
|
|
8/15 - 12/15
|
SMP Parallelization
|
|
Addison Schile
|
NSF REU Undergraduate
|
Graduate student, UC Berkeley
|
5/15 - 7/15
|
FNO CCSD(T)
|
|
Chris Cook
|
Undergraduate
|
Industry
|
2/12 - 5/15
|
Benchmarking non-covalent interactions
|
|
Dr. Robert Parrish
|
Undergrad and Graduate Student
|
Head of Chemistry Simulations, QCWare
|
1/09 - 5/15
|
Rank-reduction methods
|
|
Dr. Matthew Kennedy
|
Graduate Student
|
Industry
|
6/09 - 12/14
|
Curved π-π interactions; catalysis
|
|
Anselme Mucunguzi
|
NSF REU Undergraduate
|
Graduate student, Notre Dame
|
5/14 - 7/14
|
SAPT Applications
|
|
Vernon "DJ" Crowell
|
Co-advised Graduate Student
|
Pharmacy School
|
8/11 - 12/13
|
Excited states of ice
|
|
Kevin Hannon
|
NSF REU Undergraduate
|
Graduate student, Emory University
|
5/13 - 7/13
|
Local correlation methods
|
|
Prof.
Eugene DePrince
|
Research Scientist
|
Professor, Florida State University
|
9/11 - 7/13
|
FNO-DF/CD-CCSD(T)
|
|
Prof.
Ugur Bozkaya
|
Visiting Scientist
|
Professor, Hacettepe University
|
7/12 - 5/13
|
Density fitting and orbital optimization
|
|
Nihit Pokhrel
|
Visiting Undergraduate Student
|
Undergraduate, Wesleyan College, Macon, GA
|
8/12 - 12/12
|
Shimizu CH/π systems
|
|
Dr. Michael Marshall
|
Gradaute Student
|
Industry
|
8/07 - 9/12
|
Benchmarking non-covalent interactions
|
|
Dr. Edward Hohenstein
|
Graduate Student
|
Research Scientist, SLAC National Accelerator Laboratory
|
8/07 - 7/11
|
Density-Fitted SAPT
|
|
Jiana Duan
|
Undergraduate
|
Graduate Student, U Georgia
|
8/10 - 5/11
|
Charge penetration effects
|
|
Dr. Sahan Thanthiriwatte
|
Postdoc
|
Research Computing, Federal Reserve
|
1/09 - 12/10
|
cation-π, H-bonding
|
|
Dr. Tait Takatani
|
Graduate Student
|
Research Faculty, Syracuse University
|
8/06 - 6/10
|
catalysis, SCS methods, S22A database
|
|
Yue Geng
|
Undergraduate
|
|
8/08 - 8/09
|
indole-benzene
|
|
Prof. Ashley Ringer McDonald
|
Graduate Student
|
Professor, Cal Poly San Louis Obispo
|
8/04 - 5/09
|
π-π and C--H/π interactions
|
|
Stephen Arnstein
|
Graduate Student
|
|
8/05 - 12/08
|
substituent effects in π-π interactions
|
|
Sam Chill
|
NSF REU Undergraduate
|
R&D Engineer, Synopsys Inc.
|
5/08 - 8/08
|
nonbonded interactions in biological systems
|
|
Jarrod McClean
|
NSF REU Undergraduate
|
Google Quantum AI Lab
|
5/08 - 8/08
|
new polarizable force fields
|
|
Marian Breuer
|
NSF IREU Undergraduate
|
|
5/08 - 8/08
|
dispersion-corrected DFT
|
|
Dr. John Sears
|
Graduate Student
|
Patent Law
|
5/02 - 12/07
|
nondynamical correlation, catalysis
|
|
Dr. Berhane Temelso
|
Graduate Student
|
Research Scientist, College of Charleston
|
6/02 - 1/07
|
H-transfer reactions, ab initio limits
|
|
Dr. Arteum Bochevarov
|
Graduate Student
|
Senior Scientist, Schrodinger Inc.
|
1/02 - 8/06
|
ENMO, Hybrid CC/PT
|
|
Alvin Yates
|
Undergraduate
|
|
5/06 - 8/06
|
Group website and Python databases
|
|
Ryan West
|
Undergraduate
|
|
1/06 - 5/06
|
Pyridine dimer
|
|
Prof. Edward Valeev
|
CCMST Research Scientist
|
Professor, Virginia Tech
|
2/01 - 8/06
|
MP2-R12, BODC
|
|
Anastasia Senenko
|
NSF REU Undergraduate
|
|
5/06 - 7/06
|
Sulfur-pi interactions
|
|
Mohini Jain
|
Undergraduate
|
|
8/05 - 12/05
|
Noncovalent interactions
|
|
Tony Tauer
|
Graduate Student
|
|
8/03 - 12/05
|
Sulfur-pi and benzene clusters
|
|
Dr. Micah Abrams
|
Graduate Student
|
Senior Scientist, EOIR Technologies, Inc.
|
5/01 - 2/05
|
Nondynamical correlation
|
|
Prof. Ryan Lively
|
GT PURA Undergraduate
|
Professor, Georgia Tech
|
1/04 - 8/04
|
Pi-pi interactions
|
|
Michelle Figgs
|
NSF REU Undergraduate
|
Market Research Analyst, IMS Research
|
6/03 - 8/03
|
Alkyl-pi interactions
|
|
Prof. Mutasem Sinnokrot
|
Graduate Student
|
Professor, Khalifa University,
UAE
|
8/99 - 8/04
|
Pi-Pi Interactions; DFT anharmonicities
|
|
Prof. Betty Derrick
|
Visiting Professor
|
Retired
|
1/03 - 12/03
|
Sulfur-pi interactions
|
|
Hugh Heldenbrand
|
NSF REU Undergraduate
|
|
5/03 - 7/03
|
Weak interactions
|
|
Pamela Mashburn
|
Undergraduate
|
|
1/03 - 5/03
|
Radical cations
|
|
Prof. Antara Dutta
|
Visiting Scientist
|
Professor, Georgia State University
|
5/02 - 2/03
|
Benchmarking bond-breaking reactions
|
|
Ryan Cohen
|
Graduate Student
|
|
5/01 - 1/03
|
Benchmarking excited state DFT methods
|
|
Prof. Ryan Steele
|
NSF REU Undergraduate
|
Professor, University of Utah
|
5/02 - 8/02
|
Molecular recognition
|
|
Alfred Park
|
Undergraduate
|
|
12/99 - 8/02
|
Lab Setup/System Administrator
|
|
Anne Margaret Huss
|
Pfizer Undergraduate
|
|
5/01 - 8/01
|
Excited States of Photoacids
|
|
Prof.
Alan Gabrielli
|
Visiting Professor
|
Dean, Southern Polytechnic (Retired)
|
5/00 - 8/00, 5/01-7/01
|
Copper complexes
|
|
Amanda Jacob
|
Undergraduate
|
|
8/00 - 5/01
|
Copper complexes
|
|
Brendan Sullivan
|
Undergraduate
|
|
1/01 - 5/01
|
Electronic structure visualization
|
|
Ryan Cohen
|
NSF REU Undergraduate
|
|
5/00 - 8/00
|
DFT for symmetry-breaking molecules
|
|
Daniel Baker
|
Undergraduate
|
|
1/00 - 5/00
|
Twisting induced charge
transfer effect
|
|
Michael McGinley
|
Undergraduate
|
|
9/99 - 5/00
|
Computer benchmarking
|
|
Jennifer Ayers
|
Undergraduate
|
|
9/99 - 12/99
|
Computer benchmarking
|
| |
Main
