
Current Lab Members
Postdoctoral Associates

PhD: University of Helsinki (with Dr. Juho Helaja)
Email Google Scholar LinkedIn ResearchGate ORCIDApplication of contemporary computational quantum chemistry methods to study reaction mechanisms and to use the acquired knowledge in reaction development.

PhD: University of Zaragoza
Email Google Scholar LinkedIn Github Publons ResearchGate ORCIDJuan’s research is mainly focused on studying reaction mechanisms and predicting molecular properties with quantum mechanics and machine learning.

PhD: Chongqing University (with Prof. Yu Lan)
Email Google Scholar LinkedIn ResearchGate ORCID
PhD: IIT Bombay (with Prof. RB Sunoj)
Email Google Scholar ResearchGate ORCIDSreenithya’s research interests are on mechanism and selectivity of catalytic reactions and design new reactions using quantum mechanical calculations and machine learning.
Graduate Students

Undergraduate: Colorado State University, B.S. Chemistry
Email LinkedIn Github ResearchGateTurki’s current research interests incorporate understanding and investigating reaction mechanisms using quantum mechanics and thermodynamic properties.

Undergraduate: California State University East Bay B.S. Biochemistry
Email LinkedIn ResearchGateDeveloping DFT based models to explain the origin of selectivity in pyridine functionalization.

Undergraduate: University of Texas B.S. Biochemistry
Email LinkedIn ResearchGate ORCIDFrom a synthetic background, Liliana is currently developing machine learning models for multifaceted catalytic reactions aided by high-throughput quantum chemistry.

Undergraduate: Creighton University, B.S. Chemistry
Email LinkedIn ResearchGate ORCIDHeidi’s aim is to define a set of design principles for allosteric drugs. Afterwhich, she hopes to develop an in silico workflow for the rational design of allosteric drugs through a combination of molecular dynamics, quantum mechanics, and machine learning approaches.

Undergraduate: University of Portland, B.S. Chemistry
Email LinkedIn Github ResearchGate ORCIDGuilian’s interests lie in developing open source computational tools for chemical data-mining and automation. He is currently developing new approaches to connect the results of quantum chemical calculations with multivariate statistical models of catalytic reactions.

Undergraduate: Lawrence Univeristy, B.A. Chemistry and Biochemistry
Email LinkedIn ResearchGateRicky’s interest is in the developement of computational workflows that process quantum mechanical datasets using machine learning and artificial inteligence.

Undergraduate: IIT Bombay, B.S.(hons) Chemistry
Master’s: University of Oxford, MSc in Theoretical and Computational Chemistry (with Prof. Fernanda Duarte)
Shree’s interest lies in utilizing computational tools to achieve improved predictions of molecular properties. Currently, she works on collaborative projects with NREL and multiple python projects within members of the group.
Undergraduate Students

Undergraduate: Colorado State University, B.S. Chemistry
Email LinkedIn Github ResearchGateKate’s current interests are in utilizing quantum mechanic calculations to predict the site of catalytic oxidation of organic molecules.
Alumni Lab Members
Name | Role in the lab | Where are they now? |
---|---|---|
Ruchuta Ardkhean | Graduate Student | Lecturer, HRH Princess Chulabhorn College of Medical Science, Thailand |
David Ascough | Graduate Student | Emerald Cloud Labs, San Francisco |
Wilian Cortopassi | Graduate Student | Novartis, San Francisco |
Fernanda Duarte | Postdoctoral Associate | Associate Professor, University of Oxford |
Yanfei Guan | Postdoctoral Associate | Pfizer, Connecticut |
Sami Jaffar | Graduate Student | Navigant , London |
Jackson Kelvin | Graduate Student | Prytania Solutions, London |
Kiran Kumar | Graduate Student | Johnson & Johnson, Philadelphia |
Nhu Nguyen | Postdoctoral Associate | |
Qian Peng | Postdoctoral Associate | Assistant Professor, Nankai University |
Simion Robert | Graduate Student | CTO, Enzbond, Oxford |
Bencan Tang | Postdoctoral Associate | Associate Professor, University of Nottingham, Ningbo |
Xinglong Zhang | Graduate Student | Institute of High Performance Computing, Singapore |
Paton Research Group
Department of Chemistry
Colorado State University
1301 Center Avenue
Ft. Collins, CO 80523-1872
patonlab@colostate.edu
+1.970.791.7746