Aparajita Dasgupta, PhD
I am a Postdoctoral Associate in the Coley Lab in the Department of Chemical Engineering at the Massachusetts Institute of Technology (MIT). I obtained my PhD in Materials Design and Innovation from the University at Buffalo, State University of New York (SUNY) under the guidance of Prof. Krishna Rajan. My research interests lie at the intersection of machine learning, chemical engineering and materials science.
Research Interests
My research aims to understand and discover novel materials, molecules and process design principles using data-driven techniques to improve human health and sustainability.
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My proposed research program has three thrusts:
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1. Identifying Functional Fingerprints in Advanced Materials.
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2. Using Computational Methods to Assess Pharmacokinetic Effects.
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3. Data Driven Understanding of Process Development and Manufacturing.
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Publications
L. Williams, A. Mukherjee, A. Dasgupta, and K. Rajan, “Monitoring the Role of Site Chemistry on the Formation Energy of Perovskites via Deep Learning Analysis of Hirshfeld Surfaces,” J. Mater. Chem. C, 2021, doi: 10.1039/D1TC01972D.
A. Dasgupta, Y. Gao, S. R. Broderick, E. B. Pitman, and K. Rajan, “Machine Learning-Aided Identification of Single Atom Alloy Catalysts,” J. Phys. Chem. C, vol. 124, no. 26, pp. 14158–14166, Jul. 2020, doi: 10.1021/acs.jpcc.0c01492.
A. Dasgupta, S. R. Broderick, C. Mack, B. U. Kota, R. Subramaniam, S. Setlur, V. Govindaraju, K. Rajan, Probabilistic Assessment of Glass Forming Ability Rules for Metallic Glasses Aided by Automated Analysis of Phase Diagrams. Sci. Rep. 2019, 9 (1), 357. doi:10.1038/s41598-018-36224-3.