Postdoctoral Associate - AI-Driven Materials Discovery

University at Buffalo; Buffalo (NY); On-site; USD 60,000 - 80,000; Full time

Job summary

University at Buffalo invites applications for a full-time Postdoctoral Associate in the Peng Research Group to conduct research at the intersection of scientific AI, atomistic simulation, computational catalysis, and data-driven materials discovery.

The successful candidate will primarily support a DOE Genesis Mission project developing closed-loop AI workflows for chemical-manufacturing research and will contribute to an ACS PRF project on data-driven discovery of intermetallic catalysts.

Qualifications

• The candidate will work at the intersection of scientific AI, atomistic simulation, computational catalysis, and data-driven materials discovery.

Responsibilities

• Support the U.S. Department of Energy Genesis Mission project by developing closed-loop and agentic AI workflows for chemical-manufacturing research.
• Contribute to the ACS Petroleum Research Fund project on data-driven discovery of intermetallic alloy catalysts with unusual electronic structures.
• Combine first-principles atomistic simulations, scientific machine learning, reaction modeling, and integration of computational and experimental data.
• Develop reproducible computational workflows and collaborate with researchers across multiple institutions.
• Communicate research findings through publications, presentations, technical reports, software, and research datasets.

Job description

University at Buffalo invites applications for a full-time Postdoctoral Associate in the Peng Research Group to conduct research at the intersection of scientific AI, atomistic simulation, computational catalysis, and data-driven materials discovery.

The successful candidate will primarily support a DOE Genesis Mission project developing closed-loop AI workflows for chemical-manufacturing research and will contribute to an ACS PRF project on data-driven discovery of intermetallic catalysts.