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Haotian Li

Haotian Li

Cofounder at Redouble AI, former CTO at Redesign Science

haotianli
San Francisco, California
Joined January 2026
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Summary

Haotian Li is a deep tech entrepreneur with a strong foundation in computational chemistry and physics. He co-founded Redesign Science, where he served as CTO, leveraging molecular dynamics simulations and AI to accelerate early-stage drug discovery. His expertise focuses on applying advanced computational methods to solve complex problems in regulated industries, as evidenced by his current role as cofounder of Redouble AI, which aims to scale human-in-the-loop AI workflows. ycombinator+4
With a Master of Philosophy in Computational Chemistry from New York University and a B.S. in Physics from Zhejiang University, Haotian Li combines rigorous academic training with practical entrepreneurial experience. His academic background also includes visiting scholar stints at Brown University and Rice University, showcasing a broad scientific curiosity and a strong interdisciplinary approach to research and development. equilar+4
Haotian Li is an accomplished researcher in computational chemistry, with publications in prestigious journals focusing on areas such as targeting protein-protein interfaces, representing biomolecular surfaces, and understanding the interaction of amyloid fibrils with materials like graphene. His contributions demonstrate a deep engagement with molecular-level simulations and their applications in biological and chemical systems. google+1

Work

Education

Writing

AlphaSpace 2.0: representing concave biomolecular surfaces using β-clusters

January 1, 2020

This paper introduces β-clusters as a pseudomolecular representation for fragment-centric pockets detected by AlphaSpace, aiming to improve the understanding and design of rational modulators for biomolecular surfaces.

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Targeting unoccupied surfaces on protein–protein interfaces

January 1, 2017

This publication focuses on methods to design small molecules that can target protein-protein interaction interfaces, a crucial area in drug discovery. It explores a pocket-centric computational design strategy guided by AlphaSpace.

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Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene

January 1, 2014

Research demonstrating how graphene nanosheets can effectively clear amyloid fibrils from cell membranes through a dewetting transition, offering insights into potential treatments for protein conformational diseases.

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