About

I am an Associate research scientist at the Flatiron Institute jointly appointed between the Center for Computational Quantum Physics (CCQ) and the Initiative for Computational Catalysis (ICC). I develop numerical approaches to tackle quantum many-body problems in strongly correlated materials and catalysis, with a particular focus on quantum Monte Carlo methods.

Current research areas include:

• Auxiliary Field Quantum Monte Carlo for correlated electrons
• Interplay of electron-phonon coupling and strong electronic correlations
• Chirality and spin transport

Education and work experience

• Postdoctoral Researcher - Columbia University
  Advisor: Prof. David Reichman

• Ph.D. in Chemical Physics - University of Colorado, Boulder
  Advisor: Prof. Sandeep Sharma
  Thesis: Stochastic electronic structure theory

• Integrated Masters in Physics - IIT Bombay
  Minor in Computer Science

Software & Code

I enjoy writing differentiable and performant code. Here are some examples:

• trot: End-to-end differentiable Auxiliary Field Quantum Monte Carlo
• nn_eph: Neural quantum states for electron-phonon interactions
• Dice: Suite of multi-reference electronic structure methods in C++

Get in touch!

If you are a graduate student interested in working with me, you can apply to postdoctoral or predoctoral positions at ICC or CCQ. I am happy to discuss potential research opportunities and collaborations.

Email: ankitmahajan76 [at] gmail.com GitHub: ankit76