Postdoctoral Associate at Virginia Tech: The research group of Professor Hongliang Xin at Virginia Tech is seeking a full-time Postdoctoral Associate to advance the development of agentic AI systems aimed at enhancing computational catalysis and experimental design.
Designation
Postdoctoral Associate
Table
| Detail | Information |
|---|---|
| Research Area | Agentic AI Systems, Computational Catalysis |
| Location | Blacksburg, Virginia |
| Eligibility/Qualification | Ph.D. in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related field. Must have completed PhD no more than four years prior to the appointment date with at least one year of eligibility remaining. |
| Last Date for Apply | Open until filled |
Job Description
The successful candidate will contribute to building AI-native frameworks that integrate first-principles modeling, machine-learning methods, and scientific data infrastructures. The role involves working on:
- Autonomous hypothesis generation.
- Mechanistic exploration.
- Design of catalytic systems.
Collaboration across interdisciplinary research groups focused on materials discovery through computational chemistry and machine learning is essential.
Eligibility/Qualification
- Required Qualifications:
- Ph.D. in relevant fields (Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or related).
- Strong expertise in first-principles modeling or molecular simulations relevant to catalysis.
- Deep understanding of reaction kinetics, thermodynamics, and structure-reactivity relationships in catalytic systems.
- Experience with agentic AI, including automated data curation, ML model integration, and workflow orchestration.
- Preferred Skills:
- Proven ability to conduct independent research and publish high-quality scientific work.
- Excellent collaboration skills across disciplines.
How to Apply
Interested candidates are encouraged to apply by submitting their application through the Virginia Tech employment portal.
Last Date for Apply
Applications are open until filled.
For additional inquiries, please refer to the official job listing on the Virginia Tech website.








