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👋 Hi, I am a Research Professor at the Molecule Maker Lab Institute, an NSF AI center based at the University of Illinois at Urbana-Champaign.

💻🤔 I spend a lot of time thinking about problems at the interface of computational physics, chemical science, and machine learning.

🥷 I was up till recently an Career-track Staff Computational Scientist at the Data Science and Learning Division at the Argonne National Laboratory (2020-2023).

🥷 Previously, I was a postdoctoral appointee, co-supervised by Dr. Álvaro Vázquez Mayagoitia and Prof. Jacqueline Cole (University of Cambridge) at the Argonne Leadership Computing Facility,ANL (2017-2020).

• During the postdoctoral years, I was working with leadership class super computers to deliver scientific solution for leading experimentalists in the domain of chemical physics. During that time I worked on a number of interdisciplinary projects such as: (1) natural language process for literature mining of optoelectronic molecules, (2) implemented active learning for Gaussian Approximation Potential, and (3) ML based molecular melting point predictions.

🎓 I was awarded a Ph.D. in engineering physics from the Institute for Computational Physics, University of Stuttgart, Germany in 2017. During that period, I also served as guest researcher at the Ångström Laboratory, Uppsala University, Sweden.

• I was using 💻 for understanding electronic transport/ quantum information science of nanosensors: (1) quantum tunneling across functionalized gold electrodes for nextgen DNA sequencing (2) 2D materials for gas sensing and DNA sequencing.