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Salaried Density Functional Theory Jobs (NOW HIRING)

New Jersey Institute of Technology

$62K/yr

The work will involve the applications of classical density functional theory for predicting ... Salary Additional Information: As an EEO employer NJIT is committed to building a diverse and ...

University of Georgia- FACS

$90 - $130/hr

The successful candidate will achieve this objective through the application of density functional theory (DFT) modeling of these processes using ab initio molecular dynamics (MD), and the ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

1910

Computational Theoretical Chemist I

Boston, MA

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

1910

Computational Theoretical Chemist II

Boston, MA · On-site

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

1910

Computational Theoretical Chemist I

Boston, MA

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including ...

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Salaried Density Functional Theory information

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$55.5K

$125.8K

$185.5K

How much do salaried density functional theory jobs pay per year?

As of Aug 24, 2026, the average yearly pay for salaried density functional theory in the United States is $125,843.00, according to ZipRecruiter salary data. Most workers in this role earn between $97,500.00 and $160,000.00 per year, depending on experience, location, and employer.

What is a salaried density functional theory professional?

A Salaried Density Functional Theory (DFT) professional is a scientist or researcher employed full-time to use DFT, a computational quantum mechanical modeling method, to investigate the electronic structure of molecules, solids, or materials. These professionals typically work in academic, government, or industrial laboratories, applying DFT to predict properties, understand reactions, or design new materials. Their work often involves using specialized software, interpreting results, and collaborating with experimentalists or other theorists. Salaried DFT professionals usually have an advanced degree in chemistry, physics, or materials science.

What are the key skills and qualifications needed to thrive as a density functional theory researcher?

To thrive as a Density Functional Theory (DFT) Researcher, you need a solid background in quantum mechanics, computational chemistry or physics, and typically a relevant advanced degree (e.g., PhD). Familiarity with software packages such as VASP, Gaussian, or Quantum ESPRESSO, as well as programming skills in Python or Fortran, are usually required. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills in this position. These skills enable accurate modeling, efficient data analysis, and clear dissemination of complex scientific findings.

What are some common challenges faced by professionals working in salaried density functional theory roles?

Professionals in salaried DFT roles often encounter challenges such as balancing computational resource limitations with the need for high-precision results, interpreting complex quantum mechanical data, and ensuring that simulation outcomes align with experimental results. Collaboration with multidisciplinary teams, such as experimental chemists or materials scientists, is essential to validate findings and optimize models. Staying current with evolving software tools and theoretical methods is also critical for success and career growth in this rapidly advancing field.

What is the difference between Salaried Density Functional Theory vs Salaried Quantum Chemist?

AspectSalaried Density Functional TheorySalaried Quantum Chemist
CredentialsTypically requires a PhD in Chemistry, Physics, or related fieldTypically requires a PhD in Chemistry, Physics, or related field
Work EnvironmentResearch labs, academia, or industry focusing on electronic structure calculationsResearch labs, academia, or industry focusing on molecular modeling and electronic structure
Industry UsageUsed in materials science, nanotechnology, and computational chemistryUsed in pharmaceuticals, materials, and chemical research

Both roles involve advanced computational skills and similar educational backgrounds. Salaried Density Functional Theory specialists focus specifically on applying DFT methods to study electronic properties, while Salaried Quantum Chemists have a broader scope including various quantum mechanical techniques. The choice depends on the specific research or industry focus.

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Salaried Density Functional Theory jobs near you
Infographic showing various Salaried Density Functional Theory job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 89% Full Time, 6% Part Time, and 4% Contract. Highlights an 84% Physical, 5% Hybrid, and 11% Remote job distribution, with an average salary of $125,843 per year, or $60.5 per hour.

Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer

Hampton University Faculty

Hampton, VA • On-site

$64K/yr

Full-time

Re-posted 7 days ago

Job description

Required Qualifications
  • Ph.D. in Chemical Engineering, Materials Science and Engineering, Physics, Chemistry, Computational Materials Science, or a closely related discipline.
  • Demonstrated expertise in molecular dynamics simulations using LAMMPS.
  • Experience performing density functional theory calculations using VASP.
  • Strong background in atomistic modeling of crystalline materials, minerals, ceramics, metals, or solid-state materials.
  • Experience working in Linux/Unix computing environments and high-performance computing (HPC) clusters.
  • Knowledge of artificial intelligence (AI), machine learning (ML), or data-driven materials science. Experience applying AI/ML methods to computational chemistry, molecular simulations, or materials informatics is highly desirable.
  • Programming experience in Python, Bash, or similar scripting languages.
  • Excellent written and oral communication skills, with a strong publication record.
Position Details
The appointment is for one year and is renewable based on satisfactory performance and the availability of external research funding. Competitive salary and benefits are available in accordance with university policies.
Salary based on qualifications $64,000
Application Materials
Applicants should submit a single pdf to Dr. Zhang at liqun.zhang@hamptonu.edu. The PDF file should include:
  1. A cover letter describing research interests and relevant experience.
  2. A current curriculum vitae, including a list of publications.
  3. Contact information for three professional references.
  4. Up to three representative publications.

Review of applications will begin immediately and continue until the position is filled.

Apply