Postdoctoral Associate (L,P,S)

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

Position Function

The Postdoctoral Associate will conduct advanced research bridging electronic structure theory and data-driven methods, leveraging both theoretical frameworks and machine learning (ML) models to predict the behavior of quantum materials. The successful candidate will play a key role in developing innovative computational approaches and scientific software.

Salary Grade

UC

For salary grade UC, these positions are "Unclassified" and salary ranges are determined by the hiring department.

Department Profile

For information on the Department of Chemistry, please visit www.chemistry.msstate.edu

Area of Specialization

Chemistry

Anticipated Appointment Date

Fall 2026

Tenure Track Status

n/A

Essential Duties and Responsibilities

• Design and implement machine learning models to accelerate quantum chemistry calculations, enabling rapid, data-driven materials discovery and force field development.
• Lead the dissemination of research findings through peer-reviewed journal publications, manuscript preparation, and presentations at regional and national academic conferences.
• Contribute to ongoing development, optimization, and maintenance of custom computational software packages.
• Assist in preliminary data generation for extramural grant proposals.

Minimum 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.

Preferred Qualifications

• Hands-on experience training, developing, and deploying machine learning models for chemical or physical applications.
• Familiarity with strongly correlated electronic structure methodologies and implementing these methods in computational software.

Knowledge, Skills, and Abilities

• Excellent written and verbal communication skills.
• Proven ability to work independently and as part of a team.

Working Conditions and Physical Effort

Regularly involves lifting and bending. Often exposed to one or more elements such as heat, cold, noise, dust, dirt, chemicals, etc.

Restricted Clause

Position is contingent upon continued availability of funding.

Equal Employment Opportunity Statement

Mississippi State University is an equal opportunity institution.

Discrimination is prohibited in university employment, programs or activities based on race, color, ethnicity, sex, pregnancy, religion, national origin, disability, age, sexual orientation, genetic information, status as a U.S. veteran, or any other status to the extent protected by applicable law.

Questions about equal opportunity programs or compliance should be directed to the Office of Civil Rights Compliance, 231 Famous Maroon Band Street, P.O. 6044, Mississippi State, MS 39762, [phone].

What do I do if I need an accommodation?

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If you have any questions regarding this policy, contact the Department of Human ResourcesManagement at [phone] or [e-mail]. Upon request, sections of this job listing are available in large print, and readers are available to assist the visually impaired.