$90 - $130/hr
... Computational Scientist to contribute to the advancement of modeling capabilities and physics ... application of density functional theory (DFT) modeling of these processes using ab initio ...
$90 - $130/hr
... Computational Scientist to contribute to the advancement of modeling capabilities and physics ... application of density functional theory (DFT) modeling of these processes using ab initio ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
Princeton, NJ · On-site
$90 - $130/hr
... Computational Scientist to contribute to the advancement of modeling capabilities and physics ... application of density functional theory (DFT) modeling of these processes using ab initio ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
Princeton, NJ · On-site
$90 - $130/hr
... Computational Scientist to contribute to the advancement of modeling capabilities and physics ... application of density functional theory (DFT) modeling of these processes using ab initio ...
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
D. in Chemical Engineering, Materials Science and Engineering, Physics, Chemistry, Computational ... Experience performing density functional theory calculations using VASP . * Strong background in ...
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
D. in Chemical Engineering, Materials Science and Engineering, Physics, Chemistry, Computational ... Experience performing density functional theory calculations using VASP . * Strong background in ...
Student Worker: CHEM- Research Assistant
$14.25 - $18/hr
... density functional theory modeling, and preparation of conference presentations and research ... Student worker will spend time in the lab using scientific instrumentation and computer software ...
Student Worker: CHEM- Research Assistant
$14.25 - $18/hr
... density functional theory modeling, and preparation of conference presentations and research ... Student worker will spend time in the lab using scientific instrumentation and computer software ...
Student Worker: CHEM- Research Assistant
Commerce, TX · On-site
$14.25 - $18/hr
... density functional theory modeling, and preparation of conference presentations and research ... Student worker will spend time in the lab using scientific instrumentation and computer software ...
Student Worker: CHEM- Research Assistant
Commerce, TX · On-site
$14.25 - $18/hr
... density functional theory modeling, and preparation of conference presentations and research ... Student worker will spend time in the lab using scientific instrumentation and computer software ...
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $170/hr
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
New
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $170/hr
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
New
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $190/hr
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $190/hr
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
... density functional theory, molecular dynamics, and finite-element modeling. Because our entire ... PhD-level depth in computational materials science, condensed-matter physics, or computational ...
Computational Materials Scientist
Woburn, MA · On-site +1
$180K - $200K/yr
This powerful combination of "AI for science" and material engineering enables batteries that can ... Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum ...
Computational Materials Scientist
Woburn, MA · On-site +1
$180K - $200K/yr
This powerful combination of "AI for science" and material engineering enables batteries that can ... Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum ...
$62K/yr
The work will involve the applications of classical density functional theory for predicting thermodynamic properties of the fluids in confinement. The postdoctoral associate will develop and utilize ...
$62K/yr
The work will involve the applications of classical density functional theory for predicting thermodynamic properties of the fluids in confinement. The postdoctoral associate will develop and utilize ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
Postdoctoral Research Position in Computational Physics at Harvard University
Cambridge, MA · On-site
$67K - $80K/yr
... Sciences Department/Area Physics Position Description Postdoctoral Research Position in ... methods like density-functional theory, developing interatomic potentials with various ...
Postdoctoral Research Position in Computational Physics at Harvard University
Cambridge, MA · On-site
$67K - $80K/yr
... Sciences Department/Area Physics Position Description Postdoctoral Research Position in ... methods like density-functional theory, developing interatomic potentials with various ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
Quick apply
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
D. in physics, chemistry, materials science, or a closely related field completed no later than 08 ... g. density functional theory) computational tools. • High performance computing (e.g. slurm or ...
D. in physics, chemistry, materials science, or a closely related field completed no later than 08 ... g. density functional theory) computational tools. • High performance computing (e.g. slurm or ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
Quick apply
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...
Density Functional Theory Scientist information
See salary details
$44K - $53.7K
19% of jobs
$57.5K is the 25th percentile. Wages below this are outliers.
$53.7K - $63.5K
15% of jobs
The median wage is $69.3K / yr.
$63.5K - $73.2K
27% of jobs
$73.2K - $82.9K
9% of jobs
$82.9K - $92.6K
5% of jobs
$93.3K is the 75th percentile. Wages above this are outliers.
$92.6K - $102.4K
7% of jobs
$102.4K - $112.1K
6% of jobs
$112.1K - $121.8K
4% of jobs
$121.8K - $131.5K
3% of jobs
$131.5K - $141.3K
3% of jobs
$141.3K - $151K
1% of jobs
$44K
$81.5K
$151K
How much do density functional theory scientist jobs pay per year?
As of Aug 25, 2026, the average yearly pay for density functional theory scientist in the United States is $81,521.00, according to ZipRecruiter salary data. Most workers in this role earn between $59,000.00 and $99,000.00 per year, depending on experience, location, and employer.
What is a density functional theory scientist?
A Density Functional Theory (DFT) Scientist conducts computational research using quantum mechanical simulations to study the electronic structure of materials and molecules. They develop, implement, and apply DFT methods to solve problems in physics, chemistry, and materials science. Their work often involves writing code, analyzing simulation data, and collaborating with experimental researchers to explain or predict material properties. DFT Scientists are commonly employed in academia, national laboratories, and industries such as semiconductors, energy storage, and pharmaceuticals.
What does a density functional theory scientist do?
A typical workday for a Density Functional Theory Scientist involves setting up and running computational simulations, analyzing electronic structure data, and reporting findings to colleagues or clients. You'll often spend time coding, using specialized DFT software, and preparing presentations or publications. Collaboration is common, as you may work closely with experimentalists, engineers, or other theorists to interpret results or design new research directions. The role balances independent problem-solving with teamwork, offering a dynamic environment that encourages continual learning and innovation.
What are the key skills and qualifications needed to thrive as a density functional theory scientist?
A Density Functional Theory Scientist typically holds an advanced degree in physics, chemistry, materials science, or a related field, with strong expertise in quantum mechanics and computational modeling. Proficiency with computational chemistry software (such as VASP, Quantum ESPRESSO, or Gaussian), high-performance computing environments, and programming languages like Python or Fortran is essential. Excellent problem-solving, teamwork, and communication skills help these scientists interpret results and collaborate effectively with multidisciplinary teams. These combined abilities are crucial for conducting accurate simulations, advancing scientific knowledge, and contributing to innovative materials or molecular research.
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What job categories do people searching Density Functional Theory Scientist jobs look for?
The top searched job categories for Density Functional Theory Scientist jobs are:
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
On-site
$90 - $130/hr
Other
Posted 7 days ago
Job description
Job Type Full-Time
Overview
The Princeton Plasma Physics Laboratory (PPPL) is seeking to appoint a Computational Scientist to contribute to the advancement of modeling capabilities and physics research pertaining to using low-temperature plasmas for processing of two-dimensional materials and associated technologies. The primary responsibility of this position involves conducting and facilitating computational modeling of processing of 2D materials by low-temperature plasma for the purposes of scientific discovery and engineering design of these processes. The successful candidate will achieve this objective through the application of density functional theory (DFT) modeling of these processes using ab initio molecular dynamics (MD), and the utilization of machine learning potentials for MD acceleration. The candidate should have strong practical familiarity with MD simulations and band gap structure calculations of 2D material properties and connection to experimental measurements. Furthermore, the candidate should demonstrate substantial practical knowledge of 2D material properties and techniques employed in plasma processing, coupled with a proven track record of modeling of such discharges. The results will be disseminated to the broader academic and industrial communities, necessitating strong interpersonal and communication skills to cultivate these relationships. Finally, this role will encompass the conceptualization and preparation of novel proposal ideas to secure funding for future research projects.