Undergraduate: Salisbury University, B.S. in Chemistry and Biology. B.A. in Psychology.Email
Brandon’s research interests lie in utilizing quantum mechanics and machine learning approaches to answer a myriad of chemical questions ranging from structure to reactivity.
Undergraduate: Creighton University, B.S. ChemistryEmail LinkedIn ResearchGate ORCID
Heidi’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. ChemistryEmail LinkedIn Github ResearchGate ORCID
Guilian’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: 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.
Toby’s main interest is in optimizing chemistry software. This includes: speedup of code, writing testing frameworks, and refining the overall flow of code. He works with an agile-based philosophy. He also has a strong interest in machine learning, so his research takes him to developing/optimizing features for models, and analyzing which models work best for certain chemical problems.
|Name||Role in the lab||Where are they now?|
|Jacqueline Tan||Graduate Student||Scientist at Institute of High Performance Computing (A*STAR)|
|Turki Alturaifi||Undergraduate Student||PhD student at University of Pittsburgh|
|Juanvi Alegre Requena||Postdoctoral Associate||Juan de la Cierva Fellow, University of Zaragoza|
|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|
|Kelvin Jackson||Graduate Student||Prytania Solutions, London|
|Kiran Kumar||Graduate Student||Johnson & Johnson, Philadelphia|
|Sreenithya Avadakkam||Postdoctoral Associate|
|Nhu Nguyen||Postdoctoral Associate||Entos AI, San Diego|
|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|
|Wojtek Treyde||Visiting Scholar|
|Hua Yuan||Visiting Scholar||Professor, Hunan University of Science and Technology|
|Xinglong Zhang||Graduate Student||Institute of High Performance Computing, Singapore|