Profile

Research Interests

Computational Biophysics, Molecular Electronics, Statistical Physics, Molecular dynamics, Density Functional Theory, Machine Learning, Artificial Intelligence, Neural Networks.

Education

  1. Postdoctoral Associate, 2022-Present, Research Laboratory of Electronics, Massachusetts Institute of Technology, USA.

  2. M.S. + PhD (Physics), 2015-2022, Center for Condensed Matter Theory, Department of Physics, Indian Institute of Science Bangalore India.

  3. B.Sc., 2012-2015, Physics (Honors), Sri Venkateswara College, Delhi University, New Delhi, India.


Computational Skills

Theoretical Techniques: Machine Learning (ML), Neural Network (NN), Artificial Intelligence (AI), Molecular Dynamics Simulation (MD), Kinetic Monte Carlo (KMC) Simulation, Density Functional Theory (DFT), Non-Equilibrium Green Function (NEGF) Formalism.

Simulation packages: Scikit-Learn, Keras, AMBER, NAMD, GROMACS, GAUSSIAN, Quantum ESPRESSO, Kwant, VOTCA-CTP, SIESTA.

Programming Languages: PYTHON, C++, MATLAB, Mathematica, Unix Shell Scripting

Word Processing: LATEX, MS Office, Libre Office, MS PowerPoint, Inkscape

Operating systems: Linux, Windows, MacOS

Experienced with performing simulations on High-Performing Clusters (HPCs)


International Conferences Attended

  • Poster at ChemSci2020: Leaders in the Field Symposium held during 7th - 10th December 2020, organized by Royal Society of Chemistry and IISER Kolkata, India.

  • Virtual Talk Poster at APS March Meeting 2020 2nd March 2020 - 4th March 2020 organized by American Physical Society at Denver, Colorado, USA.

  • Poster at CPMD Meeting 2019- Pushing the boundaries of Molecular Dynamics held from 22nd July 2019 to 24th July 2019 at CECAM-HQ-EPFL, Laussane, Switzerland.

  • Talk at International Conference on Multiscale Simulation Mathematical Modelling of Complex Biological Systems. 30th January - 1st February 2019 jointly organized by Jawaharlal Nehru University (JNU), Delhi University (DU) and Rice University, USA.

  • Poster at A discussion meeting on “Recent Advances in Molecular Simulations”. 8th - 11th February 2018 at Solid State and Structural Chemistry Unit, IISc Bangalore, India.

  • Conference on Collective Dynamics of-, -on and around Filaments in Living Cells: Motors, MAPS, TIPS and Tracks held during 28th October 2017 to 2nd November 2017 at ICTS, Bangalore.'

  • Sorborne-JNCASR School on Advanced Methods in Computational Materials held from 29th January 2018 to 2nd February 2018 JNCASR, Bangalore.


Academic Achievements

  • Chemical Science Outstanding Poster Presentation Prize: Awarded at ChemSci2020: Leaders in the Field Symposium, IISER Kolkata, December 2020.

  • CTEP Travel Support: Awarded to attend International Conference from Department of Biotechnology, India in 2020.

  • Tata Trusts Travel Award: Awarded from Tata Trusts to attend international scientific conference in 2019.

  • Best Poster Award: Awarded during In-House Symposium at Indian Institute of Science in 2017.

  • Secured 2nd rank all over Delhi University: Achieved this feat for B.Sc. Physics (Hons.) in 2015.

  • JAM, Jan 2015: Achieved an All India 35th rank in IIT-JAM among about 9000 applicants.

  • JEST 2015: Achieved an All India 39th rank in JEST among about 9000 applicants.


Contact

Grossman Group & EEL Group,

Research Laboratory of Electronics,

Massachusetts Institute of Technology,

USA

Email: abhiagr@mit.edu, abhiagr94@gmail.com