"Postdoctoral Associate"

Postdoctoral Associate

Company: Virginia Tech

Job Location: Blacksburg, 24061

Category: Chemistry

Type: Full-Time

Job Description

The research group of Professor Hongliang Xin (xingroup.org) at Virginia Tech invites applications for a full-time Postdoctoral Associate to drive the development of agentic AI systems for accelerating computational catalysis and experimental design. The successful candidate will contribute to building AI-native frameworks that combine first-principles modeling, machine-learning methods, knowledge-graph and ontology-based scientific data infrastructures, and agentic workflows for autonomous hypothesis generation, mechanistic exploration, and design of catalytic systems.

Candidates will collaborate closely with interdisciplinary research groups advancing materials discovery through the convergence of computational chemistry, machine learning, and agentic science.

Required Qualifications

• Ph.D. in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related field. PhD must be awarded no more than four years prior to the effective date of appointment with a minimum of one year eligibility remaining.
• Strong expertise in first-principles modeling or molecular simulations relevant to catalysis, and experience with machine learning models.
• Deep understanding of reaction kinetics, thermodynamics, and structure-reactivity relationships in catalytic systems.
• Demonstrated experience with agentic AI, including automated data curation, ML model integration, workflow orchestration, or AI-assisted experimental design.
• Proven ability to conduct independent research, collaborate across disciplines, and publish high-quality scientific work.

Overtime Status

Exempt: Not eligible for overtime

Appointment Type

Restricted

Salary Information

Commensurate with experience

Hours per week

40

Review Date

January 2, 2026

Additional Information

The successful candidate will be required to have a criminal conviction check.

If you are an individual with a disability and desire an accommodation, please contact Cheri Warren at Cheriw@vt.edu during regular business hours at least 10 business days prior to the event.

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