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Internship Density Functional Theory Jobs (NOW HIRING)

Elve Inc

Internship: General Application

Davis, CA · On-site

$25 - $50/hr

You will have the opportunity to complete independent projects, build cross-functional skills ... theory and disruptive, real-world hardware innovation. We are growing and hiring many interns ...

Elve Inc

Internship: General Application

Davis, CA · On-site

$25 - $50/hr

You will have the opportunity to complete independent projects, build cross-functional skills ... theory and disruptive, real-world hardware innovation. We are growing and hiring many interns ...

Elve Inc

Internship: General Application

Davis, CA · On-site

$25 - $50/hr

You will have the opportunity to complete independent projects, build cross-functional skills ... theory and disruptive, real-world hardware innovation. We are growing and hiring many interns ...

ECS

Senior Electrical Engineer

Chantilly, VA · On-site

$111K - $144K/yr

HDI Layout experience understanding the complexities and tradeoffs of complex high-density layouts ... In depth knowledge of engineering standards, theories, concepts, and techniques relevant to ...

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Internship Density Functional Theory information

What types of projects and collaborations can I expect during an Internship in Density Functional Theory (DFT)?

As a DFT intern, you can expect to work on computational projects that involve simulating and analyzing the electronic structure of materials or molecules. You will often collaborate closely with both theoretical and experimental researchers, contributing to ongoing research papers or larger grant-funded projects. Your daily tasks may include running DFT calculations, interpreting results, and discussing findings with your supervisor or research group members. This collaborative environment provides excellent opportunities to learn advanced computational chemistry or physics techniques and to build a professional network within the field.

What is the difference between Internship Density Functional Theory vs Internship Computational Chemistry?

AspectInternship Density Functional TheoryInternship Computational Chemistry
Required CredentialsUndergraduate or graduate in chemistry, physics, or related fieldsUndergraduate or graduate in chemistry, physics, or related fields
Work EnvironmentResearch labs, academic institutions, industry R&DResearch labs, academic institutions, industry R&D
Industry UsageMaterial science, quantum chemistry, physics researchDrug discovery, material design, chemical analysis

Internship Density Functional Theory focuses on applying quantum mechanical models to study electronic structures, while Internship Computational Chemistry covers a broader range of computational methods for chemical problems. Both roles often share similar educational backgrounds and work environments, but Density Functional Theory is more specialized in electronic structure calculations, whereas Computational Chemistry includes various simulation techniques.

What are the key skills and qualifications needed to thrive as an Internship Density Functional Theory, and why are they important?

To thrive in a Density Functional Theory (DFT) internship, you generally need a solid background in physics, chemistry, or materials science, along with coursework or research experience in quantum mechanics and computational modeling. Familiarity with DFT software packages like VASP, Quantum ESPRESSO, or Gaussian, as well as programming skills in Python or Fortran, are highly valued. Strong analytical thinking, problem-solving abilities, and effective communication skills help interns interpret results and collaborate with research teams. These competencies are essential for conducting accurate simulations, advancing research objectives, and contributing meaningful insights in computational science projects.

What is an Internship in Density Functional Theory?

An internship in Density Functional Theory (DFT) is a temporary position, often for students or recent graduates, that provides hands-on experience in computational chemistry or physics using DFT methods. Interns typically work on projects involving electronic structure calculations, materials modeling, or quantum mechanics under the supervision of experienced researchers. This role is ideal for those interested in theoretical and computational research, and it helps develop skills in programming, data analysis, and scientific communication. Interns may also have the opportunity to contribute to publications or present their findings at conferences.
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Internship Density Functional Theory jobs near you
Post-Doctoral Research Associate: Department of Physics and Astronomy - UTK

Post-Doctoral Research Associate: Department of Physics and Astronomy - UTK

The University of Tennessee

Knoxville, TN

$2.5K/wk

Full-time

Posted 14 days ago

Job description

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. 

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! 

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.

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.

Apply