Molecular Simulation Jobs in Oak Ridge, TN (NOW HIRING)

We are seeking a highly motivated Computational Researcher to join the Del Maestro group at the University of Tennessee, Knoxville to work on challenging problems in quantum materials at the interface of condensed matter, quantum chemistry, and materials science and engineering. The candidate will utilize advanced computational methods on high-performance computing infrastructure including classical and quantum Monte Carlo, molecular dynamics, and ab initio methods.
Responsibilities
The successful applicant will work with Prof. Del Maestro and his team to:

• Utilize advanced computational frameworks to model complex physical interactions and transport phenomena.
• Simulate materials and account for fundamental physical effects under a range of environmental conditions.
• Leverage modern computational techniques, including data-driven and machine learning models, to accurately represent atomic-level interactions and behaviors.
• Analyze large-scale simulation data to extract key dynamic properties, and material performance metrics.
• Work with, validate, and help maintain proprietary in-house software tools and computational infrastructure.
• Collaborate with team members to apply specialized expertise toward solving complex modeling challenges.
• Ensure compliance with environment, safety, health and quality program requirements.
• Maintain strong commitment to the implementation and perpetuation of values and ethics in scientific research.

Qualifications
Required Qualifications

• Education: Ph.D. in physics, chemistry, materials science, or a closely related field completed no later than 08/01/2026.
• Experience:
  • An excellent track record of productive and creative research demonstrated by publications in peer reviewed journals.
  • Strong verbal and writing skills.
  • Demonstrated ability to work independently and collaboratively with team members, including experimental collaborators.
  • Familiarity with atomistic (e.g. molecular dynamics, Monte Carlo) and/or ab initio (e.g. density functional theory) computational tools.
• Knowledge, Skills, Abilities:
  • High performance computing (e.g. slurm or other workload managers).
  • Must be a U.S Citizen and be able to obtain and maintain a U.S security clearance.

Preferred Qualifications

• Experience: Research experience in artificial intelligence for quantum systems/materials.

Work Location

• University of Tennessee, Knoxville
• Onsite

Compensation and Benefits

• Anticipated hiring range: $65,000
• Maximum moving allowance: $2,500
• Find more information on UT Benefits here

Application Instructions
For best consideration applicants should submit the below materials before August 1, 2026:

• Cover Letter
• Full CV including list of publications
• 2-3 letters of recommendation with a preference for 1 from current supervisor sent directly to Prof. Del Maestro at qm_postdoc@tennessee.edu.

Review of applications will begin immediately and continue until the position is filled.
About The Department
The Department has an exemplary research record, with eight professors earning NSF CAREER awards since 2012, eight professors among the world's top two percent of physicists based on citation count, the award of the prestigious American Physical Society 2021 Bonner Prize, eleven APS Fellows, and four AAAS Fellows. The University of Tennessee, Knoxville is Tennessee's flagship state research institution, a campus of choice for outstanding undergraduates and a premier graduate institution with a number of nationally and internationally ranked programs and with national and international leadership in numerous fields.
About Us
The University of Tennessee, Knoxville, has shaped leaders, changemakers, and innovative thinkers since its founding in 1794. The university is home to more than 38,000 students and 10,000 statewide employees-the Volunteers-who uphold the university's tradition of lighting the way for others through leadership and service.
UT Knoxville offers over 900 programs of study across 14 degree-granting colleges and schools. As Tennessee's flagship land-grant university, its footprint spans the entire state. The university holds the highest Carnegie classification for research activity and has deep partnerships with industry leaders and the US Department of Energy's largest multidisciplinary laboratory, Oak Ridge National Laboratory.
The Knoxville campus serves and recruits for UT Knoxville, including the Institute of Agriculture and the Space Institute, as well as the UT Institute of Public Service.
UT Knoxville considers its employees its number one asset. With values that focus on work-life balance, compensation, and innovation leadership, all Vols are supported to advance professionally. Employees have access to career development and coaching, continued education, and an extensive list of development and training possibilities. The Volunteer employee experience implements structures and practices to attract and retain top-tier talent, fostering a strong staff community and supporting a culture of involvement and engagement for everyone.
The university holds a strong commitment to its land-grant mission of learning and engagement, with a tradition of service and leadership that carries that Volunteer spirit throughout the state and around the world. It has been ranked nationally as "Best Employer for New Graduates," "One of America's Best Large Employers," and "Best Workplace for Women," and has been designated as "Best Place for Working Parents" by Forbes Magazine.
Apply today and join the Tennessee Volunteer community!