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Hire Amit G.

India

USD 80 /hr

Eperienced experimental and computational scientist, applied mathematician, ML expert

Profile Summary

Experimental physical chemist and machine-learning scientist with a PhD in spectroscopic and imaging analytics (NMR, UV-Vis, FT-IR, XRD, TEM). Translated complex lab data into predictive simulations, developing end-to-end algorithms, scientific software, and intuitive GUIs. My toolkit spans applied mathematics, differentiable programming, and streamlined software deployment. Equally effective driving solo R&D or collaborating with large, cross-functional teams—partnerships include Meta, Intel, and Lawrence Livermore National Laboratory.)

Subject Matter Expertise

• ☆ Physical Chemistry
• ☆ Quantum Chemistry
• ☆ Computational Chemistry
• ☆ Computer Science
• ☆ Supercomputing
• ☆ Parallel Computing
• ☆ Distributed Computing
• ☆ Applied Mathematics
• ☆ Computational Sciences
• ☆ Mathematical Physics
• ☆ Differential Equations
• ☆ Python
• ☆ Matlab
• ☆ LaTex
• ☆ Peer Review
• ☆ Research Methodology
• ☆ Literature Search
• ☆ Technical & Scientific Writing
• ☆ Experimental Protocols

Services

• Research
• Data & AI

Research Scientific and Technical Research, Systematic Literature Review

Data & AI Predictive Modeling, Statistical Analysis, Algorithm Design-Non ML, Algorithm Design-ML

Work Experience

Post-Doc researcher

University of Minnesota

September 2021 - Present

Post-Doc researcher

Tata Institute of Fundamental Research Hyderabad

August 2018 - July 2021

Education

PhD (Dept. of Inorganic and Physical Chemistry)

Indian Institute of Science

August 2011 - June 2018

Certifications

• Doctor of Philosophy

  Indian Institute of Science

  June 2018 - Present

Publications

JOURNAL ARTICLE

Gupta, Amit, Chakraborty, Sabyasachi, Ghosh, Debashree, Ramakrishnan, Raghunathan(2021). Data-driven modeling of S0→ S1 excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design. The Journal of Chemical Physics. 155. (24). p. 244102. AIP Publishing LLC

Gupta, Amit, Chakraborty, Sabyasachi, Ramakrishnan, Raghunathan(2021). Revving up 13C NMR shielding predictions across chemical space: Benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules. Machine Learning: Science and Technology. 2. (3). p. 035010. IOP Publishing

Gupta, Amit, Vasudevan, Sukumaran(2018). Understanding surfactant stabilization of MoS2 nanosheets in aqueous dispersions from zeta potential measurements and molecular dynamics simulations. The Journal of Physical Chemistry C. 122. (33). p. 19243--19250. American Chemical Society

Gupta, Amit, Arunachalam, Vaishali, Vasudevan, Sukumaran(2016). Liquid-phase exfoliation of MoS2 nanosheets: the critical role of trace water. The journal of physical chemistry letters. 7. (23). p. 4884--4890. American Chemical Society

Gupta, Amit, Arunachalam, Vaishali, Vasudevan, Sukumaran(2015). Water dispersible, positively and negatively charged MoS2 nanosheets: surface chemistry and the role of surfactant binding. The journal of physical chemistry letters. 6. (4). p. 739--744. American Chemical Society