Postdoc: Quantum Chemistry & ML for Materials Discovery

Mississippi State University; Starkville (MS); Hybrid; USD 52,000 - 68,000; Full time

Job summary

Mississippi State University invites applications for a Postdoctoral Associate to conduct advanced research bridging electronic structure theory and data-driven methods. The role focuses on developing computational approaches and scientific software for quantum materials.

The successful candidate will publish findings, contribute to software development, and support data generation for grant proposals, with anticipated appointment in Fall 2026. The position is based in the Chemistry Department.

Qualifications

• PhD in Chemistry, Physics, Materials Science, or closely related disciplines.
• Strong background in theoretical chemistry with demonstrated experience performing electronic structure calculations.
• Proficiency in writing and maintaining scientific computational software.

Responsibilities

• Design and implement machine learning models to accelerate quantum chemistry calculations and materials discovery.
• Lead dissemination of research findings through peer-reviewed publications and conference presentations.
• Contribute to development, optimization, and maintenance of custom computational software packages.
• Assist in preliminary data generation for extramural grant proposals.

Skills

Scientific software

Electronic structure knowledge

Education

PhD in Chemistry/Physics/Materials Science

Tools

Python/Scientific computing

Job description

Mississippi State University invites applications for a Postdoctoral Associate to conduct advanced research bridging electronic structure theory and data-driven methods. The role focuses on developing computational approaches and scientific software for quantum materials.

The successful candidate will publish findings, contribute to software development, and support data generation for grant proposals, with anticipated appointment in Fall 2026. The position is based in the Chemistry Department.