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Postdoc Dft Jobs (NOW HIRING)

Worcester Polytech

Post-Doctoral Fellow

Worcester, MA

$45K - $70K/yr

... 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.

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Postdoc Dft information

What are Postdoc DFT positions?

Postdoc DFT positions are postdoctoral research roles focused on Density Functional Theory (DFT), a computational quantum mechanical modeling method used in physics, chemistry, and materials science. These positions typically involve conducting advanced research using DFT to study the electronic structure of atoms, molecules, or solids. Postdocs in this area often work on developing new DFT methods, applying them to novel materials, or interpreting experimental results. The role requires a strong background in computational modeling, quantum mechanics, and often programming skills.

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

To thrive as a Postdoc specializing in Density Functional Theory (DFT), you need a PhD in physics, chemistry, or materials science with a strong background in quantum mechanics and computational modeling. Proficiency in quantum chemistry software packages (such as VASP, Quantum ESPRESSO, or Gaussian), programming languages (like Python or Fortran), and experience with HPC systems is typically required. Strong analytical thinking, effective scientific communication, and the ability to work independently and collaboratively are standout soft skills. These competencies are crucial for conducting advanced research, publishing impactful results, and contributing to interdisciplinary scientific teams.

What are some common challenges faced by Postdoc DFT researchers when working on collaborative projects?

Postdoc DFT researchers often collaborate with experimentalists, theorists, and computational scientists, which requires clear communication and effective coordination. One common challenge is translating computational results into experimentally meaningful predictions, given the differences in language and expectations between disciplines. Additionally, managing computational resources and ensuring reproducibility of results can be demanding, especially when working with large datasets or complex systems. Working in interdisciplinary teams, postdocs must balance their independent research goals with group objectives and deadlines, fostering adaptability and strong teamwork skills.

What is the difference between Postdoc Dft vs Postdoctoral Research Associate?

AspectPostdoc DftPostdoctoral Research Associate
Required CredentialsPhD in relevant fieldPhD in relevant field
Work EnvironmentAcademic labs, research institutionsAcademic labs, research institutions
Employer & Industry UsageUniversities, research centersUniversities, research centers
Common Search & ComparisonYesYes

Both Postdoc Dft and Postdoctoral Research Associate roles typically require a PhD and involve research in academic or research institutions. The main difference lies in terminology; 'Postdoc Dft' is often used in specific regions or institutions, while 'Postdoctoral Research Associate' is more common in others. Both positions focus on advanced research, with similar work environments and employer types.

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Infographic showing various Postdoc Dft job openings in the United States as of May 2026, with employment types broken down into 83% Full Time, and 17% Part Time. Highlights an 100% In-person job distribution.

Postdoctoral Researcher - AI/ML Design for Energy Storage Batteries

IVMF BunkerLabs

Syracuse, NY • On-site

Full-time

This job post has expired today. Applications are no longer accepted.

Job description

Postdoctoral Researcher - AI/ML Design for Energy Storage Batteries

The Shi Group (Sustainable Energy Materials) in the Department of Mechanical and Aerospace Engineering at Syracuse University is seeking an experienced and highly motivated postdoctoral researcher to join the team. The postdoctoral researcher will focus on physics-informed AI/ML for battery materials and will have the opportunity to propose and define a specific focus for their work across a broad range of areas.

Qualifications: PhD in materials science and engineering, mechanical engineering, chemical engineering, chemistry, computer science, or equivalent is required. Demonstrated potential for excellence in research, evidenced by a solid publication record or significant research accomplishments (e.g. highly competitive awards, invited talks, etc.)

Job Specific Qualifications: Training experience in battery-related research at graduate school. Strong knowledge in ML/AI and in one or more of the following areas: solid mechanics, numerical electrochemical modeling, DFT/MD modeling. Excellent communication and interpersonal skills. Excited to explore and develop new research ideas and directions. Willing to collaborate effectively across scientific disciplines and with colleagues in cross-functional teams.

Responsibilities: Design, execute research, and analyze data. Write manuscripts and fellowship proposals. Assist in grant writing. Mentor and collaborate with graduate and undergraduate students. Present research at conferences and workshops. Participate in other duties related to the lab mission.

Application Instructions: In addition to completing an online application, please attach a curriculum vitae, cover letter, a 1-2 page research statement, one representative first-authored or senior-corresponding-authored publication, and a list of three references with contact information.

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