Computational Catalysis Research
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People

 
 

Group Members

 
 
A.J. MEDFORD

Associate Professor

AJ Medford is an Associate Professor in the School of Chemical & Biomolecular Engineering. He attended North Carolina State University as an undergraduate, and subsequently spent a year as a Fulbright fellow at the Technical University of Denmark before attending Stanford University where he received his Ph.D in Chemical Engineering. His research focuses on the intersection of data science, electronic structure theory, and catalysis science, with contributions including machine-learned exchange correlation functionals for density functional theory, application of neural networks to fit transient kinetic datasets, and establishing mechanistic insight into nitrogen conversion reactions, and was the recipient of the 2023 ACS "Early Career in Catalysis" award. He developed the course "Data Analytics for Chemical Engineers", which is now one of the core courses in the "Data Science for the Chemical Industry" certificate program and has won several teaching awards including the Georgia Tech "Junior Faculty Teaching Excellence" and "Excellence in Online Teaching" awards. Outside of research and teaching, he enjoys spending time with his wife and two daughters, international travel, and outdoor activities.

 

CURRICULUM VITAE

View current CV (2024)


 

TODD WHITTAKER

Postdoctoral Fellow

Todd joined the group in 2025. He completed his PhD in Chemical Engineering under the supervision of Adam Holewinski and Charles Musgrave at the University of Colorado Boulder in 2025.

Awards & Activities

  • 2025 Max Peters Most Outstanding Graduate Student, Department of Chemical and Biological Engineering, University of Colorado Boulder

  • 2024 Quad Fellowship, Institute of International Education

  • 2021 Northrop Grumman Graduate Education Scholarship, American Australian Association

Education

Trinity University
B.Sc, Chemistry, 2017

University of Colorado Boulder
M.Sc, Chemical Engineering, 2022
Ph.D, Chemical Engineering, 2025

 

 
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JAGRITI SAHOO

GRAduate student

Jagriti Sahoo joined the group in 2019.

Education

Indian Institute of Technology, Delhi
Bachelor of Technology, Chemical Engineering, 2019


 

LUCAS TIMMERMAN

Graduate Student

Lucas joined the group in 2021.

Education

University of Kentucky
B.S. Chemical Engineering, 2020

Awards

Summa Cum Laude & Patterson Scholar Finalist & National Merit Finalist


 

DINGQI NAI

Graduate Student

Dingqi joined the group in 2021.

Education

University of California, Davis
B.S. Chemical Engineering, 2018

Carnegie Mellon University
M.S. Chemical Engineering, 2019


 

LOGAN BRABSON

Graduate Student

Logan joined the group in 2022.


Education

Texas A&M University
B.S. in Chemical Engineering


 

SAYAN BHOWMIK

GRADUATE STUDENT

Sayan joined the group in 2022.

Education

Indian Institute of Science, Bengaluru, India
M.Tech in Chemical Engineering (2022)

Jadavpur University, Kolkata, India
B.E. in Chemical Engineering (2020)


 

NEUNG-KYUNG YU

GRADUATE STUDENT

Neung-kyung joined the group in 2022.

Education

Hongik University
B.S. (2020) and M.S. (2022) in Chemical Engineering


 
 

Alumni

 

 

SIHOON CHOI

ALUMNUS

Education

Korea Advanced Institute of Science and Technology
B.S. Chemical and Biomolecular Engineering, 2019


 

NICOLE HU

ALUMNUS

Education

University of California, Santa Barbara
B.S. Chemical Engineering, 2018


 

GABRIEL GUSMÃO

ALUMNUS

Awards & Activities

  • Science Without Borders, 2012 - University of California, Riverside

  • Best Qualification Exam, GA Tech, 2018

  • Best Poster Award, SUNCAT Summer School, 2019

Education

University of Campinas
B. Eng, Chemical Engineering, 2013

University of California, Riverside
Visiting Student, Christopher Research Group, 2012


 

KAYLEE TIAN

ALUMNUS

Education

Carnegie Melon University
Bachelor of Technology, Chemical Engineering, 2020


 
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ADAM YONGE

ALUMNUS

Adam graduated from the group in 2022 and began a postdoc at the National Renewable Energy Laboratory.

Education

University of South Carolina
B.S., Chemical Engineering, 2017


 
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BEN COMER

Alumnus

Ben Comer graduated from the group in 2020 and took a position as a postdoc at the SUNCAT group after graduation.

Education

Auburn University
B.S., Chemical Engineering, 2016

awards & activities

  • DoD NDSEG Fellowship Finalist

  • Dow Chemical Fellowship

  • President’s Fellowship, Georgia Tech

  • Outstanding Academic Accomplishment Award 2016-2017

 

 

RAY LEI

Alumnus

Ray Lei graduated from the group in 2021 and took a position as a postdoc at Toyota Research Institute.

Education

University of Minnesota
B.S., Chemical Engineering, 2016

 

 
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CHAOYI CHANG

Alumnus

Chaoyi graduated from the group in 2021 and is working as a software engineer at Google as of 2022.

Education

Tianjin University
B.S., Chemical Engineering, 201

 

 
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SEAN NAJMI

ALUMNUS

Sean graduated from the group in 2021 and began a postdoc at the University of Delaware in the group of Prof. Dion Vlachos.

Education

University of Maryland, Baltimore County
B.S., Chemical Engineering, 2017

Awards & Activities

  • NSF GRFP Fellowship

  • Meyerhoff Scholar

  • MARC U*STAR Trainee

 

 

Big Data & Quantum Mechanics VIP team

The Big Data & Quantum Mechanics team is a "vertically integrated project" (VIP) consisting of 15-20 undergraduate students ranging from sophomores to seniors from diverse disciplines including computer science, chemical engineering, electrical engineering, and materials science. The VIP team members are an important part of the Medford research group, but membership changes often, so specific members are only listed by request.

 
 
It is amazing what you can accomplish if you do not care who gets the credit.
— Harry Truman