$90 - $130/hr
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 ...
$90 - $130/hr
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 ...
Student Worker: CHEM- Research Assistant
$14.25 - $18/hr
Research will include developing ion mobility - mass spectrometry techniques and analysis, density functional theory modeling, and preparation of conference presentations and research articles.
Student Worker: CHEM- Research Assistant
$14.25 - $18/hr
Research will include developing ion mobility - mass spectrometry techniques and analysis, density functional theory modeling, and preparation of conference presentations and research articles.
Student Worker: CHEM- Research Assistant
Commerce, TX · On-site
$14.25 - $18/hr
Research will include developing ion mobility - mass spectrometry techniques and analysis, density functional theory modeling, and preparation of conference presentations and research articles.
Student Worker: CHEM- Research Assistant
Commerce, TX · On-site
$14.25 - $18/hr
Research will include developing ion mobility - mass spectrometry techniques and analysis, density functional theory modeling, and preparation of conference presentations and research articles.
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
Experience performing density functional theory calculations using VASP . * Strong background in atomistic modeling of crystalline materials, minerals, ceramics, metals, or solid-state materials.
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
Experience performing density functional theory calculations using VASP . * Strong background in atomistic modeling of crystalline materials, minerals, ceramics, metals, or solid-state materials.
$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 ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
Princeton, NJ · On-site
$90 - $130/hr
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 ...
Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
Princeton, NJ · On-site
$90 - $130/hr
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 ...
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 ...
... density functional theory) computational tools. • High performance computing (e.g. slurm or other workload managers). • Applicants must be legally authorized to work in the United States on a ...
... density functional theory) computational tools. • High performance computing (e.g. slurm or other workload managers). • Applicants must be legally authorized to work in the United States on a ...
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 ...
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $170/hr
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
New
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $170/hr
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
New
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 Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $190/hr
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
Computational Scientist, Quantum Energy Systems
Torrance, CA · On-site
$120 - $190/hr
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because ...
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 ...
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 ...
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 ...
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 information
See salary details
$21.07 is the 25th percentile. Wages below this are outliers.
$14.18 - $22.14
29% of jobs
The median wage is $25.21 / hr.
$22.14 - $30.09
55% of jobs
$30.09 - $38.05
13% of jobs
$38.05 - $46
3% of jobs
$46 - $53.96
0% of jobs
$53.96 - $61.91
0% of jobs
$61.91 - $69.86
0% of jobs
$69.86 - $77.82
0% of jobs
$77.82 - $85.77
0% of jobs
$85.77 - $93.73
0% of jobs
$93.73 - $101.68
0% of jobs
$14
$28
$101
How much do density functional theory jobs pay per hour?
As of Aug 26, 2026, the average hourly pay for density functional theory in the United States is $28.85, according to ZipRecruiter salary data. Most workers in this role earn between $20.67 and $28.85 per hour, depending on experience, location, and employer.
What is density functional theory?
A Density Functional Theory (DFT) job typically involves using quantum mechanical modeling to study the electronic structure of materials, molecules, or surfaces. Scientists and researchers working in DFT apply computational techniques to predict material properties, chemical reactions, and electronic behaviors. These jobs are common in academia, national labs, and industries such as semiconductors, pharmaceuticals, and energy. Roles often require expertise in physics, chemistry, or materials science, along with proficiency in computational tools like VASP, Quantum ESPRESSO, or Gaussian.
What does someone working with density functional theory do?
Professionals specializing in Density Functional Theory commonly spend their days conducting quantum mechanical simulations, running and optimizing DFT calculations, and analyzing large datasets to understand material properties or chemical processes. They often develop or refine computational models, write and debug code, and document their findings in detailed reports or scientific publications. Collaboration is key—you'll frequently interact with experimental scientists, other theorists, and sometimes industry stakeholders to interpret results and guide research directions. This role is intellectually stimulating and highly iterative, with ample opportunities to contribute to cutting-edge discoveries in materials science, chemistry, and nanotechnology.
What are the key skills and qualifications needed to thrive in density functional theory?
To thrive in a Density Functional Theory (DFT) research or specialist role, a strong background in physics, chemistry, materials science, or a related field—often supported by a master's or PhD—is essential. Experience with quantum chemistry software (like VASP, Gaussian, or Quantum ESPRESSO), programming languages (such as Python or Fortran), and familiarity with high-performance computing environments are typically required. Strong analytical skills, meticulous attention to detail, and effective communication abilities set top candidates apart. These competencies are vital for accurately modeling complex systems, interpreting computational results, and collaborating on interdisciplinary scientific projects.
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Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing...
On-site
University of Georgia- FACS
$90 - $130/hr
Other
Posted 8 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.