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.
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.
Albuquerque, NM · On-site
$47K - $64K/yr
The successful candidate will utilize density functional theory (DFT) and magnetization dynamics modeling to address challenging problems in materials physics and high-energy-density science. This ...
Albuquerque, NM · On-site
$47K - $64K/yr
The successful candidate will utilize density functional theory (DFT) and magnetization dynamics modeling to address challenging problems in materials physics and high-energy-density science. This ...
... 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 ...
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 ...
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 ...
Strong background in first-principles density functional theory calculations, particularly simulations of light-matter interactions and solid-liquid interfaces * Demonstrated publication record in ...
Strong background in first-principles density functional theory calculations, particularly simulations of light-matter interactions and solid-liquid interfaces * Demonstrated publication record in ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
Lemont, IL · On-site
$72K - $121K/yr
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
Lemont, IL · On-site
$72K - $121K/yr
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
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 ...
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
... density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators across Argonne, other national laboratories, universities, and ...
Fremont, CA · On-site
$114K - $157K/yr
Generate high fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations to support development of next-generation simulation capabilities * Utilize ...
Fremont, CA · On-site
$114K - $157K/yr
Generate high fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations to support development of next-generation simulation capabilities * Utilize ...
$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
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.
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.
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.
Hampton, VA • On-site
$64K/yr
Full-time
Posted 18 days ago
