Postdoc: Scientific ML Molecular Dynamics & Chemistry

Lawrence Berkeley National Laboratory (Berkeley Lab) seeks a Postdoctoral Researcher to advance scientific machine learning for computational chemistry across excited-state problems. You will develop symmetry-aware ML models and integrate them with molecular dynamics workflows, delivering robust, open-source implementations.

The role emphasizes physics-informed ML, equivariant GNNs, active learning, and collaboration with teams across DeepMD, NEXMD, i-PI, MixPI, and CP2K interfaces.

Consider building your career as a Postdoc:
Scientific ML for Molecular Dynamics & Chemistry at Lawrence Berkeley National Laboratory.

We aim to respond to suitable candidates as soon as possible.

Full responsibilities and requirements are described in the listing above.

Learn more about the Postdoc:
Scientific ML for Molecular Dynamics & Chemistry role in the description above.

We appreciate your interest in this position.

Join Lawrence Berkeley National Laboratory and contribute to our ongoing work.