Experience performing density functional theory (DFT) calculations.
Quick apply
Experience performing density functional theory (DFT) calculations.
Advanced knowledge of computational approaches that go beyond the conventional density functional theory is required for performing research on the topic of computational quantum materials science.
Advanced knowledge of computational approaches that go beyond the conventional density functional theory is required for performing research on the topic of computational quantum materials science.
Post-Doctoral Fellow
$45K - $70K/yr
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 ...
Post-Doctoral Fellow
$45K - $70K/yr
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 ...
Post-Doctoral Fellow
Worcester, MA · On-site
$45K - $70K/yr
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 ...
Post-Doctoral Fellow
Worcester, MA · On-site
$45K - $70K/yr
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 ...
Research efforts will include application of Quantum Monte Carlo (QMCPACK, PYQMC) density functional theory (e.g. QE, VASP, PYSCF) and associated models to describe various properties of DOE-relevant ...
Research efforts will include application of Quantum Monte Carlo (QMCPACK, PYQMC) density functional theory (e.g. QE, VASP, PYSCF) and associated models to describe various properties of DOE-relevant ...
Postdoctoral Research Position in Computational Physics at Harvard University
Cambridge, MA · On-site
$67K - $80K/yr
... like density-functional theory, developing interatomic potentials with various methodologies including machine learning approaches, and performing coarse-graining to obtain effective models at ...
Postdoctoral Research Position in Computational Physics at Harvard University
Cambridge, MA · On-site
$67K - $80K/yr
... like density-functional theory, developing interatomic potentials with various methodologies including machine learning approaches, and performing coarse-graining to obtain effective models at ...
Research efforts will include application of Quantum Monte Carlo (QMCPACK, PYQMC) density functional theory (e.g. QE, VASP, PYSCF) and associated models to describe various properties of DOE-relevant ...
Research efforts will include application of Quantum Monte Carlo (QMCPACK, PYQMC) density functional theory (e.g. QE, VASP, PYSCF) and associated models to describe various properties of DOE-relevant ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
Density Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs), or large language models (LLMs). Extensive Knowledge In: * First-principles simulations with ...
Postdoctoral Fellow - Atomistic Simulations and AI for Materials Design
Baltimore, MD · On-site
$48K - $66K/yr
Density Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs), or large language models (LLMs). Extensive Knowledge In: * First-principles simulations with ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Sr. Artificial Intelligence Lab Scientist - Material Discovery (1844)
Houston, TX · On-site
$87K - $119K/yr
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
Sr. Artificial Intelligence Lab Scientist - Material Discovery (1844)
Houston, TX · On-site
$87K - $119K/yr
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
Computational Materials Scientist
Woburn, MA · On-site +1
$180K - $200K/yr
Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes, coatings, and electrodes. * Develop ...
Computational Materials Scientist
Woburn, MA · On-site +1
$180K - $200K/yr
Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes, coatings, and electrodes. * Develop ...
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 ...
Quick apply
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 ...
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 ...
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 ...
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
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 ...
Quick apply
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 ...
Sr. Artificial Intelligence Lab Scientist - Material Discovery (1844)
Houston, TX · On-site
$87K - $119K/yr
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
Quick apply
Sr. Artificial Intelligence Lab Scientist - Material Discovery (1844)
Houston, TX · On-site
$87K - $119K/yr
... density functional theory methodologies. * Preferred candidates will have experience in the application of AI and ML approaches to material development. * Preferred candidates will be proficient in ...
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 ...
Quick apply
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 ...
Executive Density Functional Theory information
See salary details
$26.5K - $40.8K
11% of jobs
$40.8K - $55.1K
12% of jobs
$56.8K is the 25th percentile. Wages below this are outliers.
$55.1K - $69.5K
22% of jobs
The median wage is $77.4K / yr.
$69.5K - $83.8K
10% of jobs
$83.8K - $98.1K
9% of jobs
$98.1K - $112.4K
11% of jobs
$114.6K is the 75th percentile. Wages above this are outliers.
$112.4K - $126.7K
11% of jobs
$126.7K - $141K
4% of jobs
$141K - $155.4K
11% of jobs
$155.4K - $169.7K
0% of jobs
$169.7K - $184K
1% of jobs
$26.5K
$93.6K
$184K
How much do executive density functional theory jobs pay per year?
As of Jun 17, 2026, the average yearly pay for executive density functional theory in the United States is $93,552.00, according to ZipRecruiter salary data. Most workers in this role earn between $58,000.00 and $120,500.00 per year, depending on experience, location, and employer.
What cities are hiring for Executive Density Functional Theory jobs? Cities with the most Executive Density Functional Theory job openings:
What are the most commonly searched types of Density Functional Theory jobs? The most popular types of Density Functional Theory jobs are:
What states have the most Executive Density Functional Theory jobs? States with the most job openings for Executive Density Functional Theory jobs include:
Full-time
Posted 11 days ago
Job description
About Vulcan Elements
Responsibilities
Vulcan Elements is manufacturing American rare-earth permanent magnets for a secure, resilient future. With a focus on national security and economic resiliency, we serve critical industries such as defense, aerospace, and automotive powering a high-technology future. Vulcan Elements is building a team of ambitious professionals committed to Mission Focus, Technical Excellence and Transparency.
As a Materials Analysis Engineer – Computational and Modeling Focus, you will utilize modeling and computational tools to support the development and optimization of materials and processes for rare-earth permanent magnet manufacturing. You will routinely work as part of cross-functional teams to support R&D and manufacturing operations, applying simulation and analysis techniques to solve complex materials engineering challenges.
Responsibilities
- Develop and execute computational models and simulations to support materials development and process optimization, including atomic simulations, phase field modeling, density functional theory (DFT), and finite element analysis (FEA).
- Apply materials and process modeling techniques to evaluate and improve manufacturing processes for NdFeB permanent magnets.
- Collaborate with cross-functional teams across R&D, manufacturing, and quality to translate modeling insights into actionable process improvements.
- Perform and interpret results from materials analytical methods such as electron microscopy, metallography, and chemical analysis to validate and inform computational models.
- Leverage machine learning tools and data-driven approaches for the analysis and exploration of material properties and process–property relationships.
- Develop and maintain simulation workflows using tools such as ANSYS and other relevant computational packages.
- Communicate findings through technical reports, presentations, and publications as appropriate.
- Stay current with advances in computational materials science and identify opportunities to apply emerging methods to company objectives.
Responsibilities and tasks outlined are not exhaustive and may change as determined by the needs of the business
Qualifications- Bachelor's degree or higher in materials science, materials engineering, or metallurgy. Closely related fields may be considered for exceptional candidates.
- Solid understanding of fundamental materials properties, behavior, diffusion, and phase transformations.
- Demonstrated experience using one or more of the following for materials analysis or design simulations: atomic simulations, phase field modeling, density functional theory, or finite element analysis.
Must be a U.S. Person due to required access to U.S. export-controlled information or facilities.
- Hands-on experience with materials analytical methods such as electron microscopy, metallography, and chemical analysis.
- Experience using machine learning tools for analysis and exploration of material properties.
- Experience applying materials and process modeling in a manufacturing or industrial setting.
- Familiarity with a variety of analyses and packages within ANSYS.
- Experience performing density functional theory (DFT) calculations.