Postdoctoral Associate in Computational Catalysis: The research group of Professor Hongliang Xin at Virginia Tech is inviting applications for a full-time Postdoctoral Associate to lead the development of agentic AI systems aimed at accelerating computational catalysis and experimental design.
Postdoctoral Associate in Agentic AI Systems for Computational Catalysis
Designation
Postdoctoral Associate
Location
Blacksburg, Virginia
Research Area
- Computational Chemistry
- Machine Learning
- Catalysis
- Experimental Design
Eligibility/Qualification
| Requirement | Description |
|---|---|
| Ph.D. | In Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related field (awarded within the last four years) |
| Expertise | Strong background in first-principles modeling or molecular simulations relevant to catalysis, with experience in machine learning models |
| Knowledge | Deep understanding of reaction kinetics, thermodynamics, and structure-reactivity relationships in catalytic systems |
| Experience | Demonstrated experience in agentic AI (automated data curation, ML model integration, workflow orchestration, or AI-assisted experimental design) |
| Collaboration | Proven ability to conduct independent research and collaborate across disciplines |
Job Description
The successful candidate will focus on:
- Developing AI-native frameworks combining first-principles modeling, machine-learning methods, and agentic workflows for hypothesis generation and mechanistic exploration of catalytic systems.
- Collaborating closely with interdisciplinary research groups to advance materials discovery through computational chemistry and agentic science.
How to Apply
Interested candidates can apply through the Virginia Tech career portal. Please include a cover letter, CV, and contact information for three references.
Last Date for Apply
Open until filled. Applications will be reviewed starting January 2, 2026.
This position offers the opportunity to contribute to groundbreaking research and collaborate in a dynamic, interdisciplinary environment. Join us in pushing the boundaries of knowledge at Virginia Tech!
