Valay Agarawal

Education

• Integrated M.Sc. Indian Institute of Technology Bombay, India, 2021

Professional Experience

• Lab Expert, Orientation & Selection camp for Indian team for International Chemistry Olympiad, 2019

Valay received his Master’s degree in Chemistry from IIT Bombay, India, where he worked on method developments to accelerate coupled-cluster theory calculations[1-4], and quantum computing[5]. He also worked in the areas of organic synthesis[6], chemistry education and the history of science. He currently is a first-year student in the lab. His current research interest includes cost reduction method development and computing.

[1] J. Chem. Phys. 155, 124115 (2021)
[2] J. Chem. Phys. 154, 044110 (2021)
[3] J. Chem. Phys. 153, 084113 (2020)
[4] arXiv:2109.05969 [physics.comp-ph]
[5] arXiv:2110.02864 [quant-ph]
[6] Angew. Chem. Int. Ed. 60, 11127 (2021)

Publications

• Distinguishing Homolytic vs Heterolytic Bond Dissociation of Phenylsulfonium Cations with Localized Active Space Methods
• Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
• Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface

Awards and Academic Achievements

• McCormick Fellowship, Gold Medal at 47th International Chemistry Olympiad