Postdoc: MLIP Learning MD HPC
Listed on 2026-10-15
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IT/Tech
Data Scientist -
Research/Development
Data Scientist
Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to advance active learning workflows for generating datasets and training ML interatomic potentials. You will develop MLIPs for MD simulations and optimize large-scale computations on HPC systems, collaborating across disciplines to publish results.
The role emphasizes Python-based software, GPU-aware workflows, and using tools such as LAMMPS, ASE, PyTorch, with a focus on scalable atomistic modeling at ORNL.
Consider building your career as a Postdoc: MLIP & Active-Learning MD on HPC at Oak Ridge National Laboratory.
This opportunity is part of our work in Bio & Pharmacology & Health, IT & Technology.
The advertised compensation is 65.000 - 90.000.
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: MLIP & Active-Learning MD on HPC role in the description above.
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