Computational Chemistry Jobs

Lead and apply advanced physics-based and AI/ML computational approaches to accelerate small-molecule drug discovery at Psivant Therapeutics in Watertown, MA.

Lead the design and scaling of high-performance ML infrastructure for large generative and predictive molecular AI models, working at the intersection of ML, physics, and computational chemistry.

Senior engineer role to architect and productionize computational chemistry and molecular dynamics workflows at Genesis Molecular AI, enabling scalable drug-discovery software and large‑scale QM/MD campaigns.