معرفی
Nav Nidhi Rajput is an Assistant Professor in the Department of Materials Science and Chemical Engineering at Stony Brook University. His research focuses on computational studies of materials for energy storage devices and electrocatalysis, employing density functional theory (DFT) and molecular dynamics (MD) simulations. He leads the MolMD group, which integrates high-throughput computational screening with machine learning to accelerate materials discovery. His work bridges physical models, surrogate machine learning models, and experimental validation to optimize energy storage systems.
Education:
- Ph.D. Chemical Engineering, Louisiana State University, 2013
- M.S. Chemical Engineering, Louisiana State University, 2011
- B.Tech. Chemical Engineering, Bharati Vidyapeeth College of Engineering, 2007
Research Interests: Materials informatics, electrolyte design, multi-scale simulations, electrocatalysis, and sustainable energy storage solutions. His lab develops open-source frameworks like MISPR for automated molecular simulations and inverse molecular design.
Recent Article Trends: Recent work emphasizes fluorinated ether electrolytes, adiponitrile electrosynthesis, magnesium battery interfaces, and data-driven approaches for lithium-sulfur batteries. His publications highlight collaborations between computational modeling and experimental validation to address challenges in energy storage.
Awards:
- Junior Researcher DOE Travel Award 2018
- FOMMS Distinguished Young Scholars Series 2017
- Charles E. Coates Memorial Travel Award
- Junior Researcher DOE Travel Award 2015
Advising & Grants: Prior roles include Assistant Professorships at Tufts University (2018–2020) and a postdoctoral fellowship at Lawrence Berkeley National Lab (2013–2018). His lab collaborates on projects involving decarbonization of chemical processes and next-generation battery materials.
Labs/Teams: The MolMD group at Stony Brook University focuses on integrating theoretical materials science, supercomputing, and informatics for energy storage and electrosynthesis applications.
