Abhinav S. Raman is a chemical engineer by training with research interests in the areas of computational physical chemistry and electronic structure of reactive systems in the condensed phase. He is currently an Assistant Professor in the Department of Chemical Engineering at IIT Madras, where his group combines the advances in machine learning with molecular simulations to understand complex reactive systems. Before this, he was a postdoctoral research associate working with Prof. Annabella Selloni in the Department of Chemistry at Princeton University, where his research focused on developing deep neural network potentials to describe aqueous-oxide interfaces relevant to electrocatalysis and environmental geochemistry. He received his Ph.D. in Chemical Engineering from the University of Pennsylvania, working with Prof. Aleksandra Vojvodic on the surface electronic structure of catalytically relevant transition metal oxides. Prior to that, he obtained his Master’s in Chemical Engineering from Rutgers University, working with Prof. Yee Chiew on the molecular thermodynamics of complex fluids. Outside of science, he enjoys catching up on Indian history, brushing up on his Tolkien trivia, following Manchester United, and rooting for the Chennai Super Kings.
Machine learning-enabled Physical Chemistry
Surface and Interface Science
Computational Catalysis
Electronic Structure
Geochemistry
Insights into the structure and dynamics of K+ ions at the muscovite-water interface from machine learning potential simulations
Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces
Author: Zhang, Chunyi and Calegari Andrade, Marcos F. and Goldsmith, Zachary K. and Raman, Abhinav S. and Li, Yifan and Piaggi, Pablo M. and Wu, Xifan and Car, Roberto and Selloni, Annabella
Long timescale molecular dynamics simulations of carboxylic acid-modified anatase TiO2(101)-water interfaces using ab-initio deep neural network potentials
Computational Screening of 2D Ordered Double Transition-Metal Carbides (MXenes) as Electrocatalysts for Hydrogen Evolution Reaction
Author: Jin, Di and Johnson, Luke R. and Raman, Abhinav S. and Ming, Xing and Gao, Yu and Du, Fei and Wei, Yingjin and Chen, Gang and Vojvodic, Aleksandra and Gogotsi, Yury and Meng, Xing
MXene Materials for the Electrochemical Nitrogen Reduction-Functionalized or Not?
Author: Johnson, Luke R. and Sridhar, Sudiksha and Zhang, Liang and Fredrickson, Kurt D. and Raman, Abhinav S. and Jang, Joonbaek and Leach, Connor and Padmanabhan, Ashwin and Price, Christopher C. and Frey, Nathan C. and Raizada, Abhishek and Rajaraman, Vishwanathan and Saiprasad, Sai Aparna and Tang, Xiaoxin and Vojvodic, Aleksandra
Enhancing Oxygen Exchange Activity by Tailoring Perovskite Surfaces
Author: Cheng, Yuan and Raman, Abhinav S. and Paige, Julian and Zhang, Liang and Sun, Danyi and Chen, Mavis U. and Vojvodic, Aleksandra and Gorte, Raymond J. and Vohs, John M.
