Sanjeev Raja

University of California, Berkeley

I’m a third-year Computer Science PhD student at Berkeley AI Research (BAIR) advised by Aditi Krishnapriyan.

My interests lie at the intersection of machine learning and the molecular sciences, with a particular focus on developing ML methods to accelerate molecular dynamics simulations. Recently, I have also been working on deep generative modeling of atomistic conformational ensembles.

In the past, I worked on ML for climate simulations. I have been a research intern at Lawrence Berkeley National Laboratory, where I worked with Jaideep Pathak and Anima Anandkumar on FourCastNet, which was a state-of-the-art weather prediction model at the time. I also represented my university in ProjectX, an international research competition on ML for climate change solutions, for which we developed adversarial super-resolution methods for global climate simulations.

news

Jan 10, 2025 Check out our paper (accepted at ICLR 2025) on distilling machine learning force field foundation models into fast models specialized for particular subsets of chemical space.
Feb 21, 2024 Check out our paper (accepted at TMLR) and talk introducing StABlE, a multi-modal approach for training stable machine learning force fields that combines supervision from quantum-mechanical energies/forces and system observables!
Aug 24, 2022 Starting my PhD in Computer Science at UC Berkeley. Excited for the next chapter!
Apr 1, 2022 Check out our preprint on using Adaptive Fourier Neural Operators for global weather forecasting.