Pavan Ravindra

Program Year:

University:

Columbia University

Field of Study:

Chemical Physics

Advisor:

David Reichman

Degree(s):

M.Phil. Chemistry, University of Cambridge, 2022; B.S. Biochemistry, and B.S. Computer Science, University of Maryland College Park, 2021

Practicum Experience(s)

Brookhaven National Laboratory (2024)

Practicum Supervisor(s):

Deyu

Practicum Title:

Machine Learning for X-Ray Absorption Spectroscopy

Summary of Research

I use tools from physics and machine learning to study a broad range of chemical systems, such as supercooled liquids, nano-materials, and biomolecules. Some current projects I'm working on:

1. Efficiently simulating dynamical systems with machine learning models
2. Representing quantum states of fermionic systems using neural networks
3. Transforming between experimental and simualted X-ray absorption spectra using data-driven approaches

Annual Program Review Abstracts

A Machine Learning Force Field Study of Hydrogen Bonding in Nanoconfined Water (2024)

Publications

1. Ravindra, P., Smith, Z., Tiwary, P. (2020). Automatic mutual information noise omission (AMINO): Generating order parameters for molecular systems. Molecular Systems Design & Engineering.

2. Smith, Z., Ravindra, P., Wang, Y., Cooley, R., Tiwary, P. (2020). Discovering Protein Conformational Flexibility Through Artificial Intelligence Aided Molecular Dynamics. The Journal of Physical Chemistry B.

3. Ravindra, P., Advincula, X., Schran, C., Michaelides, A., Kapil, V. (2024). A quasi-one-dimensional hydrogen-bonded monolayer ice phase. Nature Communications.

4. Ravindra, P., Advincula, X., Shi, B., Coles, S., Michaelides, A., & Kapil, V. (2024). Nuclear quantum effects induce superionic proton transport in nanoconfined water. arXiv.

Awards

- Churchill Scholarship
- Goldwater Scholarship
- Banneker/Key Scholarship