PRINCIPAL INVESTIGATOR
Nav Nidhi Rajput
Nidhi received her M.S. and Ph.D. degrees in Chemical Engineering at Louisiana State University specializing in molecular dynamics studies of ionic liquids (ILs) confined inside nanoporous materials for applications in electrochemistry.
She worked as a postdoctoral research associate in the Energy Technologies Area Division at Lawrence Berkeley National Laboratory, California, where she worked on developing infrastructure for high-throughput computations for the Joint Center for Energy Storage (JCESR) and Electrolyte Genome, which is a coupled first-principle and classical molecular dynamics code-base for rapid understanding and design of optimal electrolytes. She is an editorial board member for scientific reports journal.
CURRENT MEMBERS
Kuldeepsinh completed his M.Tech in Industrial Metallurgy from NIT Trichy and his BE in Mechanical Engineering from Gujarat Technological University. He enjoys playing cricket and exploring new places.
Sourav, a mechanical engineering graduate from Jadavpur University, discovered his passion for materials modeling during his master’s in renewable energy at AcSIR, CSIR-CECRI, Chennai. Curious and driven to tackle engineering challenges, he is also an ardent F1 fan.
Manoj is pursuing his Master of Science in Data Science from Stony Brook University. He completed his Bachelor of Technology in Computer Engineering from IIITDM Kancheepuram. He enjoys exploring new AI/ML technologies to build data-driven solutions.
Ray is a senior at St. George's School in Vancouver, Canada. He participated in the Garcia summer program, where he worked on data extraction for electrolyte composition prediction. He is interested in further exploring the uses of LLMs in various applications.
Cici Yao, a high school student at Shenzhen Middle School, is passionate about physics, computer science, materials science, and dance. She strives to use science to create real-world impact.
Jasper is a high school student working to develop an automated framework for DFT modeling of battery electrolytes. He previously researched thin-film synthesis for microphotonics at Ursinus College and teaches physics through his educational organization ScholarBoost.
George is a senior at the Loomis Chaffee School. He is passionate about most things STEM, but especially the intersection between Physics and Computer Science. In his free time, you might find him riding his bike or tinkering with electronics.
ALUMNI
Matthew graduated with a BS in Chemical and Biomolecular Engineering from New York University. When he is not working, he enjoys playing the violin, cooking, and playing board games.
Rasha received her MS from Northeastern University and her BE in Chemical Engineering from the American University of Beirut. She hopes to make an impact in computational materials science.
Juntao received his MS degree in Condensed Matter Physics from Shanghai University for Science and Technology. His research focused on studying point defect in solids using DFT calculations. He is now a member of the Advanced Energy Materials Group at BNL.
Jay obtained his BTech in Metallurgical Engineering and Materials Science from the Indian Institute of Technology.
Maxim holds a PhD in Theoretical Physics from the University of Notre Dame. His research interests include studying electronic properties of semiconductor materials and nanostructures. He is currently a research associate in the CCMPGroup at the University of Arkansas.
Athreya received his BE in Chemical Engineering from Tufts University and is now an associate scientist working in upstream process development at Pfizer.
Pranati participated in the Garcia Summer Program, where she worked on developing a machine learning model to predict electrolyte properties. She is now an undergraduate student in environmental engineering at Cornell University.
Inayah holds a BA in Psychology from SUNY Old Westbury. She was a participant in the Research Experience for Undergraduates (REU) in Nanotechnology. She is now a tutor for the psychology department.
Cansu has a BS in Chemical Engineering from Tufts University. She previously interned at ABB to analyze materials for various experiments and at DOW Chemicals. She is now a consultant at Putnam Associates.
