Education

• B.Sc. in Physics, Math, and Chemistry, Deen Dayal Upadhyaya Gorakhpur University, Gorakhpur, India, 2011
• M.Sc. in Physics, Deen Dayal Upadhyaya Gorakhpur University, Gorakhpur, India, 2013
  • Specialization: Quantum Mechanics and Astrophysics
• Ph.D in Materials Science, Materials Research Centre, Indian Institute of Science, Bangalore, India, 2019
  • Dissertation: Exploration of exfoliation, functionalization and properties of MXenes via first-principles and machine learning

Work Experience

• Nov 2023 - Present: Scientist 2 at Los Alamos National Laboratory, USA
  • Materials Modeling, Materials Informatics, Quantum Computing, and Virtual Characterization,
• Oct 2022 - Nov 2023: Director’s Postdoc Fellow at Los Alamos National Laboratory, USA
  • Interface characterization using virtual diffraction and physics-informed machine learning
• Jan 2022 - Oct 2022: Postdoctoral Research Associate at Los Alamos National Laboratory, USA
  • Microstructure characterization using atomistic simulations and machine learning
• May 2021 - Jan 2022: Research Scientist at University of Connecticut, USA
  • Investigating the links between microstructure and the atomic scale behavior of metals under dynamic loading conditions
• May 2019 - May 2021: Postdoctoral Fellow at University of Connecticut, USA
  • Investigating the links between microstructure and the atomic scale behavior of metals under dynamic loading conditions

Development

1. aNANt: During my Ph.D., I co-developed “aNANt”, the first computational materials database from India; it currently holds around 23,000 MXenes along with their optimized structures and electronic properties.
2. VirTex: A Python package for virtual texture analysis from atomistic microstructures; orientation relationship, misorientation, Schmid factor, twin characterization, etc.
3. JARVIS-Leaderboard: An official contributor to the NIST project for bench-marking performances of various methods for materials science applications

Awards

1. Fellowship from Los Alamos National Laboratory (LANL), USA, to carry out research as Director’s postdoctoral fellow at LANL, USA, Aug 2022
2. Travel award from Department of Science and Technology, India, to attend American Physical Society March Meeting, USA, Feb 2019
3. Travel award from Group on Energy Research and Applications (GERA) to attend American Physical Society March Meeting, USA, Feb 2019
4. Travel award to attend MATERIALS 4.0 workshop at Technical University of Dresden, Dresden, Germany, Sep 2018
5. Travel award from Group on Energy Research and Applications (GERA) to attend American Physical Society March Meeting, USA, Feb 2018
6. Travel award to attend the advance workshop at International Centre for Theoretical Physics, Trieste, Italy, Jan 2017
7. Kawazoe Prize, Best Poster award in ACCMS-TM 2016 at SRM University Chennai, India, Sep 2016
8. Qualified joint CSIR-UGC National Eligibility Test (NET) 2013 (December) with all India rank of 58 in Physical Science.
9. Qualified Graduate Aptitude Test in Engineering (GATE) 2014 with all India rank of 36 in Physical Science.

Reviewer of Journals

• Physical Review Letters, Physical Review B, Physical Review Applied, Physical Review Materials, Journal of Physical Chemistry Letters, npj Computational Materials, Scientific Report, Scientific Data, Advanced Functional Materials, International Journal of Plasticity, Journal of Applied Physics, Journal of Materials Science, Sensors, Modelling and Simulation in Materials Science and Engineering, Computational Materials Science, and Materials