Undergraduate: NISER-Bhubaneswar, B.S Chemistry
Masters: NISER-Bhubaneswar, M.S Chemistry
Abhijeet’s interest lies in the development of computational tools and machine learning models to investigate chemical and biochemical phenomena from a quantum chemical perspective.
Undergraduate: Alma College, B.S. ChemistryEmail
Shaylee’s interests lie in utilizing quantum mechanics and machine learning approaches to predict catalytic 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: 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: 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?|
|Turki Alturaifi||Undergraduate Student||PhD student at University of Pittsburgh|
|Santeri Aikonen||Postdoctoral Associate||Janssen Pharmaceuticals, Spring House, PA|
|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|
|Alexandre Brethomé||Graduate Student||Infineum Fuels|
|Wilian Cortopassi||Graduate Student||Novartis, San Francisco|
|Fernanda Duarte||Postdoctoral Associate||Associate Professor, University of Oxford|
|Kate Fieseler||Undergraduate Student||DPhil Student at 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|
|Yingzi Li||Postdoctoral Associate|
|Sreenithya Avadakkam||Postdoctoral Associate||Post Doc at TU Delft|
|Nhu Nguyen||Postdoctoral Associate||Entos AI, San Diego|
|Ricardo Liberato Peña||Graduate Student||Farmer Group, CSU|
|Qian Peng||Postdoctoral Associate||Assistant Professor, Nankai University|
|Simion Robert||Graduate Student||CTO, Enzbond, Oxford|
|Jacqueline Tan||Graduate Student||Scientist at Institute of High Performance Computing (A*STAR)|
|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|