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How much do postdoctoral dft jobs pay per year?

As of Jun 23, 2026, the average yearly pay for postdoctoral dft in the United States is $59,022.00, according to ZipRecruiter salary data. Most workers in this role earn between $49,000.00 and $66,500.00 per year, depending on experience, location, and employer.

What are some common challenges faced by postdoctoral researchers working in Density Functional Theory (DFT) positions?

Postdoctoral researchers specializing in Density Functional Theory (DFT) often encounter challenges such as keeping up with rapidly evolving computational methods, managing large-scale simulations, and interpreting complex data. Collaboration is key, as DFT postdocs frequently work with experimentalists and interdisciplinary teams to validate computational results. Balancing independent research with contributions to larger group projects can also be demanding but provides valuable experience for future academic or industry roles.

What are Postdoctoral DFT positions?

Postdoctoral DFT positions are research roles for individuals who have recently completed a PhD and are specializing in Density Functional Theory (DFT), a computational quantum mechanical modeling method used in physics, chemistry, and materials science. These positions typically involve advanced research on electronic structure calculations, materials design, or chemical simulations using DFT techniques. Postdoctoral researchers in this area work in academic, governmental, or industrial labs, contributing to scientific publications and collaborating with interdisciplinary teams.

What are the key skills and qualifications needed to thrive as a Postdoctoral DFT (Density Functional Theory) researcher, and why are they important?

To excel as a Postdoctoral DFT researcher, you need a strong background in computational chemistry or physics, experience with quantum mechanical modeling, and a PhD in a related field. Familiarity with DFT software packages like VASP, Quantum ESPRESSO, or Gaussian, along with proficiency in programming languages such as Python or Fortran, is typically required. Strong problem-solving abilities, effective communication, and collaborative skills set outstanding candidates apart in research environments. These competencies are crucial for conducting advanced simulations, interpreting results accurately, and contributing to impactful scientific advancements.
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Infographic showing various Postdoctoral Dft job openings in the United States as of June 2026, with employment types broken down into 89% Full Time, 9% Part Time, 1% Temporary, and 1% Contract. Highlights an 92% Physical, 6% Hybrid, and 2% Remote job distribution, with an average salary of $59,022 per year, or $28.4 per hour.
Post-Doctoral Fellow

Post-Doctoral Fellow

Worcester Polytechnic Institute

Worcester, MA • On-site

$45K - $70K/yr

Full-time

Retirement

Posted 24 days ago

Job description

JOB TITLE
Post-Doctoral Fellow
LOCATION
Worcester
DEPARTMENT NAME
Mechanical & Materials Engineering - NFR JM
DIVISION NAME
Worcester Polytechnic Institute - WPI
JOB DESCRIPTION SUMMARY
The Integrated Materials and Processes Design (IMPD) group at Worcester Polytechnic Institute (WPI) invites applications for a Postdoctoral Fellow position in computational materials science with a focus on advanced density functional theory (DFT), machine learning, and multiscale materials modeling for alloys and ceramics. The successful candidate will conduct cutting-edge research involving first-principles calculations mainly using VASP and related computational tools to investigate elevated-temperature phase stability, thermodynamic and mechanical properties, defect chemistry, diffusion behavior, and electrical/functional properties of structural and energy materials. The position also involves the integration of machine learning and AI-assisted approaches into materials modeling workflows. The postdoctoral researcher is expected to work independently, develop computational workflows and machine-learning models, contribute to proposal and manuscript preparation, and collaborate with graduate students and external research partners.
Potential research topics include:
• Elevated-temperature phase stability of alloys and ceramics
• Thermodynamic and kinetic modeling integrated with DFT
• Mechanical property prediction at finite temperature
• Defect chemistry and point defect energetics
• Diffusion and transport properties
• Electrical and functional property prediction
• High-entropy materials and complex concentrated alloys
• Oxides and energy materials
• AI-assisted and machine learning-enhanced materials simulations
• Development of automated computational workflows
JOB DESCRIPTION
Responsibilities:
The postdoctoral fellow will:
  • Perform advanced first-principles calculations primarily using VASP
  • Conduct atomistic modeling of alloys, ceramics, and functional materials
  • Develop computational workflows for high-throughput simulations
  • Integrate machine learning methods with DFT-generated datasets
  • Develop and maintain scientific codes/scripts in Python or related languages
  • Analyze and interpret large-scale computational datasets
  • Publish research results in high-impact peer-reviewed journals
  • Assist in proposal preparation and collaborative research activities
  • Mentor graduate and undergraduate students as needed

Required Qualifications:
Applicants must have:
  • Ph.D. in Materials Science and Engineering, Physics, Chemistry, Mechanical Engineering, or a related field
  • Strong expertise in density functional theory (DFT)
  • Hands-on experience with VASP
  • Experience with Linux/HPC environments and parallel computing
  • Strong programming skills in Python or related scientific programming languages
  • Experience in scientific data analysis and workflow automation
  • Strong written and verbal communication skills

Preferred Qualifications:
Preference will be given to candidates with experience in one or more of the following areas:
  • Finite-temperature property calculations
  • CALPHAD or thermodynamic modeling
  • Defect calculations and diffusion modeling
  • Mechanical property calculations from first principles
  • Machine learning for materials science
  • Development of AI/ML workflows and surrogate models
  • High-throughput DFT calculations
  • Experience with ML interatomic potentials
  • Experience with materials databases and automated workflow frameworks
  • Experience with alloys, ceramics, oxides, or energy materials

Appointment Details:
Initial appointment is one year, renewable based on performance and funding availability.
Expected start date: July, 2026
Compensation:
$45,000 - $70,000 per year. Salary is based on related experience, expertise, and internal equity. WPI's benefits package includes a robust retirement match, wellness perks, tuition assistance and more!
To Apply:
Applicants should submit:
  • Curriculum Vitae
  • Brief research statement describing relevant experience and interests
  • Contact information for 2-3 references
  • Representative publications (optional)

For inquiries contact Prof. Yu Zhong, yzhong@wpi.edu, Department of Mechanical and Materials Engineering
Applications will be reviewed on a rolling basis until the position is filled.
FLSA STATUS
United States of America (Exempt)
WPI is an Equal Opportunity Employer. All qualified candidates will receive consideration for employment without regard to race, color, age, religion, sex, sexual orientation, gender identity, national origin, veteran status, or disability. It seeks individuals from all backgrounds and experiences who will contribute to a culture of creativity, collaboration, inclusion, problem solving, innovation, high performance, and change making. It is committed to maintaining a campus environment free of harassment and discrimination.

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