The MolMD Team

PRINCIPAL INVESTIGATOR

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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

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Graduate Student Kuldeepsinh Raj

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.

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Graduate Student Matthew Bliss

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.

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Graduate Student Rasha Atwi

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.

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Undergraduate Student Wilson Lee Liang

Wilson is a junior in Chemical Engineering. He is a member of the Engineering Adaptation to Climate Change team. He is also involved with SBU's Chem-E Car team and competes regionally and nationally.

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Undergraduate Student Jinyan Hu

Jin is a junior in Chemical & Molecular Engineering at SBU. She is part of the Women in Science and Engineering Honors Program and participates as a member on the SBU's Chem-E Car team.

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Graduate Student Kaniz Fatema

Kaniz, with BSc and MSc in Chemical Engineering from BUET (Dhaka), is passionate about advancing Computational Material Science. In her free time, she delves into nature’s beauty for inspiration.

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Undergraduate Student Lena Munad

Lena Munad, a third-year Computer Science student at Las Positas College, is fascinated by the potential of data science to solve real-world problems. She previously conducted research on MethaneMapper at University of California, Merced and is currently working on machine learning model classification for BatteryBert with Dr. Nav Nidhi Rajput at Stony Brook University, New York. Lena aims to pursue a Ph.D. in Data Science.

ALUMNI

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Graduate Student Juntao Yao

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.

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Graduate Student Jay Shukla

Jay obtained his BTech in Metallurgical Engineering and Materials Science from the Indian Institute of Technology.

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Postdoctoral Fellow Maxim Makeev

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.

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Undergraduate Student Athreya Ramesh

Athreya received his BE in Chemical Engineering from Tufts University and is now an associate scientist working in upstream process development at Pfizer.

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High-School Student Pranati Patnam

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.

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Undergraduate Student Inayah B. Burton

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.

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Undergraduate Student Cansu Gundem

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.

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Undergraduate Student Christina Uhlenbrock

Christina graduated with a BS in Chemical Engineering from Tufts University and is now a PhD student at the University of Michigan. She is interested in studying novel energy storage techniques for grid scale storage applications.

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Undergraduate Student Jenna C. Fromer

Jenna received her BS in Chemical Engineering from Tufts University and is now a PhD student at MIT in the Coley Research Group, where she utilizes multi-objective optimization to accelerate molecular discovery.

Thinking of joining our team?