Abhilash
Patra
Postdoctoral Researcher, Materials Engineering
I am a SUSMAT postdoc in Materials Informatics Laboratory lead by Prof. Milica Todorović. Currently, I am working on gas and bio-sensors.
Contact
Areas of expertise
Theoretical Condensed Matter Physics
Computational materials science
Density Functional Theory
AI/ML
Data-driven material discovery
AIMD
MLIP-MD
Biography
I graduated from the National Institute of Science Education and Research with a Ph.D. in Physics in 2021. I spent two years at USC, LA, and one year at UofSC, Columbia, as a postdoc.
Research
My research is based on computationally predicting the electronic structure of atoms, molecules, and bulk solids to clusters. I am interested in the development of density functional theory and higher-order wave function-based methods and their application in contemporary systems.
Publications
Recent Advances toward Efficient Calculation of Higher Nuclear Derivatives in Quantum Chemistry (2022)
Journal of Physical Chemistry A
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä )