ByteDance
AI Molecular Dynamics Algorithm Researcher Graduate (Seed AI for Science - Atomistic AI) - 2027 Start (PhD)
Seattle, Washington · Full-time · Posted Oct 28, 2026
- Experience
- No number of years specified; candidates must be completing or have recently completed a PhD.
- Education
- PhD in Computer Science, Mathematics, Physics, Chemistry, Materials Science, or related disciplines.
About the job
Conduct research on AI molecular dynamics algorithms and help solve scientific computing problems in biology, materials science, and related fields.
What you'll do
- Contribute to a multidisciplinary scientific computing research team working on biology and materials science problems.
- Stay current with AI for Science developments, including biology, materials science, quantum chemistry, and intelligent agents.
What they ask for
- Completing or recently completed a PhD in Computer Science, Mathematics, Physics, Chemistry, Materials Science, or a related discipline.
- Proficiency in at least one of Python, C, C++, CUDA, or Triton, with solid engineering capability and ability to orchestrate coding agents in development workflows.
- Meet at least one listed specialization: quantum chemistry; molecular dynamics engine development; machine learning (LLMs, reinforcement learning, agents, or generative models); solid-state physics/materials simulation and MLIP development; or statistical mechanics and enhanced sampling.
- Strong communication and teamwork skills, willingness to learn, and a conscientious, responsible work ethic.
Nice to have
- Publications in top journals in related fields.
- Strong industry experience.
Tools
Python, C, C++, CUDA, Triton, DFT/Post-HF, LAMMPS, OpenMM
AI focus
Research AI molecular dynamics algorithms and apply AI for Science methods to problems in biology and materials science.
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