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Computational Materials Dft Jobs (NOW HIRING)

The Computational Materials for Energy Technologies (CoMET) group, led by Assistant Professor Duy ... Performing computational modeling using DFT, GC-DFT, MD (AIMD, classical force fields, MLIP force ...

Materials Science Engineering The Opportunity A postdoctoral position is available in computational ... At least five years (including PhD thesis research) of experience in DFT-based first-principles ...

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Computational Materials Dft information

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How much do computational materials dft jobs pay per hour?

As of Aug 3, 2026, the average hourly pay for computational materials dft in the United States is $16.76, according to ZipRecruiter salary data. Most workers in this role earn between $13.22 and $17.55 per hour, depending on experience, location, and employer.

What are some common challenges faced by Computational Materials DFT researchers when collaborating with experimental teams?

Computational Materials DFT researchers often collaborate closely with experimental scientists to validate and interpret simulation results. A common challenge is effectively communicating complex theoretical concepts and computational limitations to non-specialists, which is crucial for aligning expectations and designing complementary experiments. Additionally, discrepancies between simulated and experimental data can arise due to idealized computational models or limitations in available material parameters, requiring proactive troubleshooting and iterative collaboration. Building strong interdisciplinary relationships and maintaining open channels of communication are key to overcoming these challenges.

What is the difference between Computational Materials Dft vs Computational Materials Scientist?

AspectComputational Materials DftComputational Materials Scientist
CredentialsTypically requires a PhD in materials science, physics, or chemistry with expertise in DFT methodsRequires a PhD or master's in similar fields with broader computational modeling skills
Work EnvironmentPrimarily research-focused, often in academia or R&D labs, using DFT softwareResearch and development across industries, applying various computational techniques including DFT
Industry UsageUsed for detailed electronic structure calculations of materialsApplied for material design, simulation, and analysis across multiple sectors

Computational Materials Dft specialists focus on electronic structure calculations using DFT, while Computational Materials Scientists have broader roles involving multiple computational methods for material research and development.

What are Computational Materials DFT jobs?

Computational Materials DFT jobs involve using Density Functional Theory (DFT) and related computational methods to study and predict the properties of materials at the atomic and molecular level. Scientists and engineers in these roles use computer simulations to understand material behavior, design new materials, and optimize existing ones for applications in fields such as electronics, energy, and nanotechnology. These jobs typically require strong backgrounds in materials science, physics, chemistry, and programming, as well as experience with specialized simulation software.

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

To thrive as a Computational Materials DFT Scientist, you need a solid background in physics, chemistry, or materials science, with advanced knowledge of quantum mechanics and DFT principles, often supported by a graduate degree. Experience with computational tools like VASP, Quantum ESPRESSO, or CASTEP, as well as proficiency in programming languages such as Python or Fortran, is typically required. Strong analytical thinking, problem-solving abilities, and effective communication skills help you interpret results and collaborate with interdisciplinary teams. Mastery of these skills enables accurate simulations, insightful data analysis, and impactful contributions to materials research and development.
More about Computational Materials Dft jobs
What cities are hiring for Computational Materials Dft jobs? Cities with the most Computational Materials Dft job openings:
What states have the most Computational Materials Dft jobs? States with the most job openings for Computational Materials Dft jobs include:
Infographic showing various Computational Materials Dft job openings in the United States as of July 2026, with employment types broken down into 67% Full Time, 32% Part Time, and 1% Contract. Highlights an 65% Physical, 2% Hybrid, and 33% Remote job distribution, with an average salary of $34,865 per year, or $16.8 per hour.

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University Of North Carolina At Chapel Hill rating

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Company rating: 7.5 out of 10

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Job description

Posting Information
Posting Details
Department
Physics and Astronomy - 319000
Posting Open Date
11/24/2025
Application Deadline
Open Until Filled
Yes
Position Type
Postdoctoral Scholar
Position Title
Post-Doc Research Associate
Vacancy ID
PDS004724
Full-time/Part-time
Full-Time Temporary
Hours per week
40
FTE
1
Work Location
Chapel Hill, NC
Position Location
North Carolina, US
Hiring Range
Proposed Start Date
01/01/2026
Estimated Duration of Appointment
12 Months
Position Information
Be a Tar Heel!
A global higher education leader in innovative teaching, research and public service, the University of North Carolina at Chapel Hill consistently ranks as one of the nation's top public universities and is among is the top ten research universities in the nation for federal research expenditures as well as for federally funded social and behavioral sciences research and development.
Here at Carolina, our highly skilled postdocs play a vital role in our research enterprise and towards our overall commitment to research excellence. Across many disciplines, postdocs contribute to the intellectual vitality of the University. They provide innovative ideas and perspectives, foster a stimulating research environment and advance knowledge within their fields. Postdocs are crucial members of our scientific research workforce, contributors to our research outputs and an important reason why Carolina is one of the leading public research institutions in the country.
UNC-Chapel Hill offers postdocs comprehensive medical and vision coverage, paid leave, and benefits and services that support professional development and a healthy work/life balance. Chapel Hill regularly ranks as one of the best college towns and best places to live in the United States, a reputation guided by the diverse social, cultural, recreation and professional opportunities that span the campus and community.
Primary Purpose of Organizational Unit
Our primary mission is providing instruction of the highest quality in physics and astronomy to undergraduate and graduate students at UNC-CH. Training in physics is fundamental among the natural sciences because it provides understanding of the forces governing the structure of matter, from subatomic particles to the large-scale structure of the universe.
Our departmental instructional mission spans all segments of the student community. Over 60% of all college graduates from UNC-CH have taken a course in our department. Among them: undergraduate liberal arts majors who should master the power of quantitative reasoning; undergraduates seeking a degree in another of the natural sciences, who need physics as a foundation for their advanced scientific training; the small number of undergraduates who major in physics, to whom we provide broad and rigorous training. Our graduate education and research advances frontiers of knowledge at the two extremes of space and time, from the very small) the realm of particle physics) to the very large (the realm of astronomy, while expanding the boundaries of knowledge in the many subfields spanning length scales between. Forefront physics and astronomy research requires access to well-equipped laboratories and extensive computing capabilities; it also must be supported by comprehensive and accessible library collections. Again, in research at this advanced level, the bridging aspect of physics provides basic interdisciplinary insight for many other sciences.
This instructional mission is supported by a strong managerial, administrative, and technical staff. Duties of these employees range from budget planning and management for the numerous research grants held by faculty in the department to maintaining course and student records. These activities are usually accomplished in a standard 40- hour week schedule.
Position Summary
The computational materials research group led by Dr. Mengen Wang is seeking a postdoc researcher to work on computational materials. The postdoc researcher will perform DFT calculations and develop methods to accelerate the design of defects in semiconductors. This position offers exciting opportunities to collaborate with experiment and theory groups. Candidates should be able to work both independently and collaboratively and contribute to a positive research group environment. The candidate is required to have experience with DFT calculations and a strong publication record. Experience with quantum defects and/or machine learning methods like machine learning interatomic potentials is a preferred qualification.
This preferred start date is January 2026 and can be negotiated. The initial appointment is for one year, with the possibility of renewal for up to two additional years based on performance.
A complete application includes (1) a cover letter summarizing the applicant's qualifications, research interests, and suitability for the position, (2) a complete CV, (3) a list of at least three references, and (4) unofficial BS and PhD transcripts. Review of applications will begin immediately and continue until the position is filled.
Minimum Education and Experience Requirements
PhD in Physics, Materials Science, Chemistry, or a closely related area
Required Qualifications, Competencies, and Experience
Strong background in solid-state physics and publication records in computational materials
Excellent written and verbal communication skills
Preferred Qualifications, Competencies, and Experience
Experience in the development and implementation of machine learning models
Special Physical/Mental Requirements
Special Instructions
For information on UNC Postdoctoral Benefits and Services click here
Quick Link
https://unc.peopleadmin.com/postings/309911
Posting Contact Information
Department Contact Name and Title
Mengen Wang, Assistant Professor
Department Contact Telephone or Email
mewang@unc.edu
Postdoctoral Affairs Contact Information
If you experience any problems accessing the system or have questions about the application process, please contact the University's Office of Postdoctoral Affairs at (919) 962-9982 or send an email to opahr@unc.edu.
Please note: The Office of Postdoctoral Affairs will not be able to provide specific updates regarding position or application status.
Equal Opportunity Employer Statement
The University is an equal opportunity employer and welcomes all to apply without regard to age, color, gender, gender expression, gender identity, genetic information, national origin, race, religion, sex, or sexual orientation. We encourage all qualified applicants to apply, including protected veterans and individuals with disabilities.

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About University of North Carolina at Chapel Hill

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The University of North Carolina at Chapel Hill (UNC-Chapel Hill), located in Chapel Hill, NC, US, is renowned for being one of the leading research institutes in the world. Operating within the education industry, this public research university offers a broad range of undergraduate, graduate, and professional programs across various disciplines. UNC-Chapel Hill was chartered in 1789 and has maintained its legacy of academic excellence and innovative research for more than two centuries. The institution operates under the core values of excellence, innovation, engagement, accessibility, diversity, and inclusivity. Their mission is to serve the people of North Carolina and the United States by teaching a diverse community of students to become the next generation of leaders.

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Colleges, universities, and professional schools

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10,000+ Employees

Headquarters location

Chapel Hill, NC, US

Year founded

1789