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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Senior Computational Chemistry Engineer
Fremont, CA · On-site
$119K - $261K/yr
D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent) * At least 3-5 years of industry experience, post Ph.D. * Experience using DFT software (e.g.
Senior Computational Chemistry Engineer
Fremont, CA · On-site
$119K - $261K/yr
D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent) * At least 3-5 years of industry experience, post Ph.D. * Experience using DFT software (e.g.
Staff Computational Chemistry/MD Engineer
Fremont, CA · On-site
$141K - $307K/yr
D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent) * 5-8 years of industry experience, post Ph.D. * Experience using DFT software (e.g. Gaussian ...
Staff Computational Chemistry/MD Engineer
Fremont, CA · On-site
$141K - $307K/yr
D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent) * 5-8 years of industry experience, post Ph.D. * Experience using DFT software (e.g. Gaussian ...
Post Doctoral Scholar
Orlando, FL · On-site
$57K/yr
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 ...
Post Doctoral Scholar
Orlando, FL · On-site
$57K/yr
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 ...
Post Doctoral Scholar
Orlando, FL · On-site
$57K/yr
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 ...
Post Doctoral Scholar
Orlando, FL · On-site
$57K/yr
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 ...
... theory (DFT), molecular dynamics (MD), or high-throughput computational screening workflows ... Material on this site may be copied and distributed with permission only.
... theory (DFT), molecular dynamics (MD), or high-throughput computational screening workflows ... Material on this site may be copied and distributed with permission only.
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 ...
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 ...
D. in chemistry, chemical engineering, materials science, or a related field. Strong experience in computational reaction mechanisms, especially DFT studies of organic, organometallic, photoredox ...
D. in chemistry, chemical engineering, materials science, or a related field. Strong experience in computational reaction mechanisms, especially DFT studies of organic, organometallic, photoredox ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
The successful candidate will lead the development of a computational platform that unifies first ... Density Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
The successful candidate will lead the development of a computational platform that unifies first ... Density Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs ...
Postdoctoral Appointee - Building Agentic AI Platform for X-ray Science
Lemont, IL · On-site
$49K - $67K/yr
Required : • A recent PhD (within 5 years) in computational chemistry, chemistry, materials ... DFT, structure-property relationships, and interpretation of simulation results. • Hands-on ...
Postdoctoral Appointee - Building Agentic AI Platform for X-ray Science
Lemont, IL · On-site
$49K - $67K/yr
Required : • A recent PhD (within 5 years) in computational chemistry, chemistry, materials ... DFT, structure-property relationships, and interpretation of simulation results. • Hands-on ...
The Materials and Systems Innovation (MSI) group within Reality Labs Research creates and ... Collaborate closely with computational chemists to integrate first-principles calculations (DFT ...
The Materials and Systems Innovation (MSI) group within Reality Labs Research creates and ... Collaborate closely with computational chemists to integrate first-principles calculations (DFT ...
The Materials and Systems Innovation (MSI) group within Reality Labs Research creates and ... Collaborate closely with computational chemists to integrate first-principles calculations (DFT ...
The Materials and Systems Innovation (MSI) group within Reality Labs Research creates and ... Collaborate closely with computational chemists to integrate first-principles calculations (DFT ...
Model materials behavior at the level the physics requires: elasticity, plasticity, viscoelasticity ... Familiarity with multiscale mechanics: bridging from atomistic or DFT-informed potentials through ...
Model materials behavior at the level the physics requires: elasticity, plasticity, viscoelasticity ... Familiarity with multiscale mechanics: bridging from atomistic or DFT-informed potentials through ...
Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC ... Collaborate with materials scientists, computational chemists, and ML researchers to translate ...
Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC ... Collaborate with materials scientists, computational chemists, and ML researchers to translate ...
Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC ... Collaborate with materials scientists, computational chemists, and ML researchers to translate ...
Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC ... Collaborate with materials scientists, computational chemists, and ML researchers to translate ...
Postdoctoral Appointee - First-Principles Materials Modeling, Onsite
Albuquerque, NM · On-site
$47K - $64K/yr
Experience with DFT/electronic-structure methods, EOS development, or related material modeling ... The Computational Multiscale Department performs research and development in physics-based ...
Postdoctoral Appointee - First-Principles Materials Modeling, Onsite
Albuquerque, NM · On-site
$47K - $64K/yr
Experience with DFT/electronic-structure methods, EOS development, or related material modeling ... The Computational Multiscale Department performs research and development in physics-based ...
Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)
Gainesville, FL · On-site
$48K - $58K/yr
... computational understanding of their many-body quantum behavior. The fundamental science of the ... Experience in DFT and beyond DFT methods, high-level quantum chemistry, machine learning, high ...
Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)
Gainesville, FL · On-site
$48K - $58K/yr
... computational understanding of their many-body quantum behavior. The fundamental science of the ... Experience in DFT and beyond DFT methods, high-level quantum chemistry, machine learning, high ...
Computational Materials Dft information
See salary details
$11.06 - $12.52
14% of jobs
$13.33 is the 25th percentile. Wages below this are outliers.
$12.52 - $13.99
20% of jobs
The median wage is $15.21 / hr.
$13.99 - $15.45
19% of jobs
$15.45 - $16.91
14% of jobs
$17.60 is the 75th percentile. Wages above this are outliers.
$16.91 - $18.38
17% of jobs
$18.38 - $19.84
4% of jobs
$19.84 - $21.31
3% of jobs
$21.31 - $22.77
0% of jobs
$22.77 - $24.24
0% of jobs
$24.24 - $25.70
4% of jobs
$25.70 - $27.16
4% of jobs
$11
$16
$27
How much do computational materials dft jobs pay per hour?
What are some common challenges faced by Computational Materials DFT researchers when collaborating with experimental teams?
What is the difference between Computational Materials Dft vs Computational Materials Scientist?
| Aspect | Computational Materials Dft | Computational Materials Scientist |
|---|---|---|
| Credentials | Typically requires a PhD in materials science, physics, or chemistry with expertise in DFT methods | Requires a PhD or master's in similar fields with broader computational modeling skills |
| Work Environment | Primarily research-focused, often in academia or R&D labs, using DFT software | Research and development across industries, applying various computational techniques including DFT |
| Industry Usage | Used for detailed electronic structure calculations of materials | Applied 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?
What are the key skills and qualifications needed to thrive as a Computational Materials DFT (Density Functional Theory) Scientist, and why are they important?

Full-time
Medical, Vision, PTO
Re-posted 12 days ago
University Of North Carolina At Chapel Hill rating
7.5
Based on 48 frontline employees who took The Breakroom Quiz
306th of 614 rated colleges and universities
Job description
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.
Industry
Colleges, universities, and professional schools
Company size
10,000+ Employees
Headquarters location
Chapel Hill, NC, US
Year founded
1789