Experience performing density functional theory (DFT) calculations.
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Experience performing density functional theory (DFT) calculations.
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 ...
Computational Materials Scientist
Woburn, MA · On-site +1
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
Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes, coatings, and electrodes. * Develop ...
Molecular Dynamics (MD), Density Functional Theory (DFT)) to understand reaction mechanisms, material properties, and degradation pathways is a plus but not mandatory. Personal Attributes:
Molecular Dynamics (MD), Density Functional Theory (DFT)) to understand reaction mechanisms, material properties, and degradation pathways is a plus but not mandatory. Personal Attributes:
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 ...
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 ...
AI Research Engineer, FAIR Chemistry
Menlo Park, CA · On-site
$121K - $181K/yr
... density functional theory • Research and engineering experience demonstrated via publications, grants, fellowships, patents, open source code • Experience in applying AI systems to solve science ...
AI Research Engineer, FAIR Chemistry
Menlo Park, CA · On-site
$121K - $181K/yr
... density functional theory • Research and engineering experience demonstrated via publications, grants, fellowships, patents, open source code • Experience in applying AI systems to solve science ...
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 ...
Collaborate on density functional theory studies of dielectric properties in ceramics. Assist in calculations dielectric properties in VASP, develop workflows to address property variation in ...
Collaborate on density functional theory studies of dielectric properties in ceramics. Assist in calculations dielectric properties in VASP, develop workflows to address property variation in ...
Collaborate on density functional theory studies of dielectric properties in ceramics. Assist in calculations dielectric properties in VASP, develop workflows to address property variation in ...
Collaborate on density functional theory studies of dielectric properties in ceramics. Assist in calculations dielectric properties in VASP, develop workflows to address property variation in ...
The successful candidate will have extensive experience in density functional theory (DFT) and a demonstrated ability to model and analyze metal-seamed architectures and host-guest supramolecular ...
The successful candidate will have extensive experience in density functional theory (DFT) and a demonstrated ability to model and analyze metal-seamed architectures and host-guest supramolecular ...
Research Assistant, College of Pharmacy
$14.50 - $17.50/hr
The successful candidate will have extensive experience in density functional theory (DFT) and a demonstrated ability to model and analyze metal-seamed architectures and host-guest supramolecular ...
Research Assistant, College of Pharmacy
$14.50 - $17.50/hr
The successful candidate will have extensive experience in density functional theory (DFT) and a demonstrated ability to model and analyze metal-seamed architectures and host-guest supramolecular ...
Entry Level Density Functional Theory information
See salary details
$12.26 - $13.11
1% of jobs
$13.11 - $13.96
3% of jobs
$13.96 - $14.82
6% of jobs
$14.82 - $15.67
12% of jobs
$15.88 is the 25th percentile. Wages below this are outliers.
$15.67 - $16.52
11% of jobs
The median wage is $17.32 / hr.
$16.52 - $17.37
18% of jobs
$17.37 - $18.23
14% of jobs
$18.80 is the 75th percentile. Wages above this are outliers.
$18.23 - $19.08
15% of jobs
$19.08 - $19.93
10% of jobs
$19.93 - $20.78
7% of jobs
$20.78 - $21.63
3% of jobs
$12
$17
$21
How much do entry level density functional theory jobs pay per hour?
As of Jun 8, 2026, the average hourly pay for entry level density functional theory in the United States is $17.46, according to ZipRecruiter salary data. Most workers in this role earn between $15.62 and $18.99 per hour, depending on experience, location, and employer.
What are some typical challenges faced by entry-level Density Functional Theory (DFT) researchers, and how can they be addressed?
Entry-level DFT researchers often encounter challenges such as mastering complex computational software, interpreting simulation results, and keeping up with rapidly evolving methodologies. Learning to troubleshoot code errors and efficiently set up simulations can be time-consuming at first. Collaborating closely with senior researchers, participating in group discussions, and utilizing online forums or tutorials can significantly accelerate the learning curve. Over time, hands-on practice and seeking feedback help build confidence and expertise.
What are entry level Density Functional Theory jobs?
Entry level Density Functional Theory (DFT) jobs typically involve using computational chemistry methods to study the electronic structure of molecules and materials. These roles are often suited for recent graduates or those with limited professional experience in computational chemistry or physics. Entry level DFT positions may include tasks such as running simulations, analyzing data, and assisting in research projects under the guidance of senior scientists. Candidates usually need a background in chemistry, physics, materials science, or a related field, along with some experience in computational modeling or quantum chemistry software. These roles are found in academia, research institutions, and industries like pharmaceuticals or materials science.
What is the difference between Entry Level Density Functional Theory vs Entry Level Computational Chemist?
| Aspect | Entry Level Density Functional Theory | Entry Level Computational Chemist |
|---|---|---|
| Required Credentials | Bachelor's degree in chemistry, physics, or related field; basic knowledge of quantum mechanics | Bachelor's degree in chemistry, chemical engineering, or related; familiarity with computational methods |
| Work Environment | Research labs, academic institutions, or industry R&D teams | Laboratories, research institutions, or pharmaceutical companies |
| Industry Usage | Primarily used in theoretical and computational chemistry research | Applied in drug discovery, materials science, and chemical research |
Entry Level Density Functional Theory focuses specifically on quantum mechanical calculations to study electronic structures, while Entry Level Computational Chemist has a broader scope, including various computational methods for chemical analysis. Both roles require similar educational backgrounds and are often found in research settings, but their applications differ in focus and complexity.
What are the key skills and qualifications needed to thrive as an Entry Level Density Functional Theory (DFT) Researcher, and why are they important?
To thrive as an entry-level DFT researcher, you need a background in physics, chemistry, or materials science, along with foundational knowledge of quantum mechanics and computational modeling. Familiarity with DFT software packages (such as VASP, Quantum ESPRESSO, or Gaussian) and basic programming skills in Python or Fortran are often required. Strong analytical thinking, attention to detail, and effective communication help in interpreting results and collaborating with research teams. These skills and qualifications are crucial for conducting accurate simulations, troubleshooting computational challenges, and contributing to scientific advancements.
More about Entry Level Density Functional Theory jobs
What are the most commonly searched types of Density Functional Theory jobs? The most popular types of Density Functional Theory jobs are:
What job categories do people searching Entry Level Density Functional Theory jobs look for? The top searched job categories for Entry Level Density Functional Theory jobs are:
Full-time
Posted 3 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.