Akshay Subramanian

I am a 4th year PhD student in Materials Science and Engineering at MIT working on generative models and atomistic simulations for molecules and materials.

I'm currently working under Prof. Rafael Gomez-Bombarelli on computationally designing and studying molecules for organic electronics. I interned last Summer with the Display team at Samsung Semiconductor where I worked on flow matching for accelerated sampling of molecular clusters. Before my PhD, I worked on somewhat different topics at the intersection of scientific literature mining and computer vision with Prof. Gerbrand Ceder's group at Lawrence Berkeley National Lab as a part of my undergrad thesis.

Outside of work, I like running, playing tennis, and music! Feel free to get in touch to chat about research or anything else.

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Constraining molecular generators to follow "symmetry" of patent-mined molecules that are likely to be synthesizable.

Our take on what the "execution gap" is in generative AI for chemistry and materials, and the associated dual-use risks and mitigation strategies.

COVID-19 literature search powered by NLP algorithms.

Patent extracted molecular datasets enable domain-focused training of generative models.

Automatic extraction and analysis of microscopy images related to gold nanoparticles synthesis from materials science literature, with computer vision techniques.