Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI ...
Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Kokomo, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Kokomo, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Research Associate - AI-Accelerated Discovery of Permanent Magnets
Oak Ridge, TN · On-site
Perform high-throughput first-principles electronic structure calculations (e.g. DFT and post-DFT methods) for generating datasets to train AI models leveraging DOE's HPC platforms * Develop new ...
Postdoctoral Research Associate - AI-Accelerated Discovery of Permanent Magnets
Oak Ridge, TN · On-site
Perform high-throughput first-principles electronic structure calculations (e.g. DFT and post-DFT methods) for generating datasets to train AI models leveraging DOE's HPC platforms * Develop new ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · Hybrid
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)
Gainesville, FL · On-site
$48K - $58K/yr
In this setting, reliable, swift, all-electron calculations of magnetically complex materials are ... Experience in DFT and beyond DFT methods, high-level quantum chemistry, machine learning, high ...
Post Doctoral Associate in the Center for Molecular Magnetic Quantum Materials (M2QM)
Gainesville, FL · On-site
$48K - $58K/yr
In this setting, reliable, swift, all-electron calculations of magnetically complex materials are ... Experience in DFT and beyond DFT methods, high-level quantum chemistry, machine learning, high ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · On-site
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Zaleski Lab
Bloomington, IN · On-site
$50K/yr
... and DFT calculations desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will emerge ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · On-site
$50K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · On-site
$50K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Bloomington, IN · Hybrid
$45K - $61K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Kokomo, IN · Hybrid
$42K - $58K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
Postdoctoral Fellow - Synthetic Chemist
Kokomo, IN · Hybrid
$42K - $58K/yr
... and DFT calculations also desirable). The Zaleski Lab is a dynamic multidisciplinary laboratory environment. The successful applicant will play an integral role within our growing team and will ...
DFT, MD, Monte Carlo. * Force field selection/parameterization; QM calculations for molecular properties. * QSAR/QSPR modeling; data analysis and visualization. * Scripting/workflow automation ...
DFT, MD, Monte Carlo. * Force field selection/parameterization; QM calculations for molecular properties. * QSAR/QSPR modeling; data analysis and visualization. * Scripting/workflow automation ...
Chemical Data Scientist
Sugar Land, TX · On-site
DFT, MD, Monte Carlo. * Force field selection/parameterization; QM calculations for molecular properties. * QSAR/QSPR modeling; data analysis and visualization. * Scripting/workflow automation ...
Chemical Data Scientist
Sugar Land, TX · On-site
DFT, MD, Monte Carlo. * Force field selection/parameterization; QM calculations for molecular properties. * QSAR/QSPR modeling; data analysis and visualization. * Scripting/workflow automation ...
... DFT), steel temperatures and all required environmental readings using appropriate equipment to ... Must be able to accomplish mathematical calculations associated with preservation readings and ...
... DFT), steel temperatures and all required environmental readings using appropriate equipment to ... Must be able to accomplish mathematical calculations associated with preservation readings and ...
Create project plans, profitability calculations, risk and sensitivity analysis, able to recognize ... DFT - Electrical Test Typical Education Bachelor degree or consideration of an equivalent ...
Create project plans, profitability calculations, risk and sensitivity analysis, able to recognize ... DFT - Electrical Test Typical Education Bachelor degree or consideration of an equivalent ...
Create project plans, profitability calculations, risk and sensitivity analysis, able to recognize ... DFT - Electrical Test Typical Education Bachelor degree or consideration of an equivalent ...
Create project plans, profitability calculations, risk and sensitivity analysis, able to recognize ... DFT - Electrical Test Typical Education Bachelor degree or consideration of an equivalent ...
AI Research Scientist -Generative AI for Materials Discovery
Redmond, WA · On-site
$154K - $217K/yr
... calculations (DFT, force fields), molecular dynamics simulations, and domain-specific constraints into generative workflows • Partner with AI agent scientists to embed generative molecular design ...
AI Research Scientist -Generative AI for Materials Discovery
Redmond, WA · On-site
$154K - $217K/yr
... calculations (DFT, force fields), molecular dynamics simulations, and domain-specific constraints into generative workflows • Partner with AI agent scientists to embed generative molecular design ...
Postdoctoral Research Associate - Chemical Engineering
Lowell, MA · On-site
$50K/yr
Molecular dynamics simulation, Electronic structure methods (DFT), Thermodynamic modeling, calculation of phase diagrams, Machine Learning, High-performance computing Additional Considerations:
Postdoctoral Research Associate - Chemical Engineering
Lowell, MA · On-site
$50K/yr
Molecular dynamics simulation, Electronic structure methods (DFT), Thermodynamic modeling, calculation of phase diagrams, Machine Learning, High-performance computing Additional Considerations:
Dft Calculation information
See salary details
$2.1K - $2.4K
1% of jobs
$2.4K - $2.6K
0% of jobs
$2.6K - $2.9K
0% of jobs
$2.9K - $3.2K
1% of jobs
$3.2K - $3.5K
13% of jobs
$3.6K is the 25th percentile. Wages below this are outliers.
$3.5K - $3.7K
19% of jobs
The median wage is $4K / yr.
$3.7K - $4K
21% of jobs
$4.3K is the 75th percentile. Wages above this are outliers.
$4K - $4.3K
23% of jobs
$4.3K - $4.6K
14% of jobs
$4.6K - $4.8K
4% of jobs
$4.8K - $5.1K
4% of jobs
$2.1K
$4K
$5.1K
How much do dft calculation jobs pay per month?
As of Jun 7, 2026, the average monthly pay for dft calculation in the United States is $4,012.75, according to ZipRecruiter salary data. Most workers in this role earn between $3,583.33 and $4,333.33 per month, depending on experience, location, and employer.
What are DFT calculations?
DFT calculations, or Density Functional Theory calculations, are computational methods used in physics, chemistry, and materials science to investigate the electronic structure of atoms, molecules, and solids. They allow researchers to predict properties such as energy levels, molecular structures, and reaction mechanisms by solving quantum mechanical equations efficiently. DFT has become popular because it strikes a good balance between accuracy and computational cost, making it feasible to study complex systems that would be too demanding for more precise methods. Researchers often use DFT in combination with experimental data to understand material properties or design new compounds.
What are some common challenges faced by professionals performing DFT (Density Functional Theory) calculations in a research or industry setting?
Professionals working with DFT calculations often encounter challenges such as selecting the most appropriate functional and basis set for their specific system, managing the computational cost for large or complex systems, and interpreting results in the context of experimental data. Additionally, ensuring reproducibility and validating the accuracy of computational models can be demanding, especially when collaborating with multidisciplinary teams. Staying updated with the latest developments in computational chemistry tools and software is also crucial for success in this role.
What is the difference between Dft Calculation vs Finite Element Analysis Engineer?
| Aspect | Dft Calculation | Finite Element Analysis Engineer |
|---|---|---|
| Required Credentials | Engineering degree, knowledge of DFT methods | Engineering degree, expertise in FEA software |
| Work Environment | Research labs, electronics companies | Engineering firms, manufacturing industries |
| Industry Usage | Designing and analyzing electronic materials | Simulating physical phenomena in products |
| Common Search/Comparison | Yes | No |
While both roles involve technical analysis, Dft Calculation focuses on quantum-level electronic properties, whereas Finite Element Analysis Engineers perform macro-scale physical simulations. Dft Calculation is specialized for materials and electronic structure, while FEA Engineers work on structural and mechanical analysis. Understanding these differences helps employers and professionals identify the right expertise for their projects.
What key skills and qualifications are needed to thrive as a DFT (Design for Test) Calculation Engineer, and why are they important?
To excel as a DFT Calculation Engineer, you need a solid background in electrical or electronics engineering, along with a strong understanding of digital circuit design and test methodologies. Proficiency with EDA tools such as Synopsys DFT Compiler, Mentor Tessent, and scripting languages like Python or TCL is typically required. Analytical thinking, attention to detail, and effective communication are valuable soft skills for collaborating with design teams and troubleshooting complex test issues. These abilities ensure robust test coverage and manufacturability, which are critical for high-quality, reliable semiconductor products.
Full-time
Medical, Dental, Vision, Retirement, PTO
Posted 24 days ago
Job description
Radical AI is replacing an R&D process that currently takes 10+ years and $100 million to produce a single discovery. Our self-driving lab platform combines AI with autonomous robotics to run experiments, analyze results, and iterate-continuously, without human bottlenecks. For industries like aerospace, automotive, defense, energy, manufacturing, semiconductors, and space, that means breakthroughs in weeks instead of years.
The Opportunity
As a Computational Materials Scientist, you will be engaging in critical simulations and modeling for materials discovery, development, and characterization. Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI scientists who depend on you to assist in data aggregation, data generation, materials simulation and model development. You will draw on a robust background in computational chemistry, software development, and machine learning. You will be responsible for running AI-enabled computational workflows for materials discovery, serving as a critical resource to the ML and materials research teams.
About you
Pluses
What We Offer
A competitive compensation package also includes the best in benefits:
Disclosure
Radical AI is committed to equal employment opportunity regardless of race, color, ancestry, national origin, religion, sex, age, sexual orientation, gender identity and expression, marital status, disability, or veteran status.
We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.
The Opportunity
As a Computational Materials Scientist, you will be engaging in critical simulations and modeling for materials discovery, development, and characterization. Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI scientists who depend on you to assist in data aggregation, data generation, materials simulation and model development. You will draw on a robust background in computational chemistry, software development, and machine learning. You will be responsible for running AI-enabled computational workflows for materials discovery, serving as a critical resource to the ML and materials research teams.
About you
- PhD degree in Chemistry, Materials Science, Computational Chemistry, Chemical Engineering, or another related subject.
- Strong research experience (e.g., evidenced by publication record), including experience in computational modeling, utilizing ab-initio methods, and coarse-graining potentials for multiscale simulations of atomistic systems.
- Understanding of the fundamental mechanics of metals and how to model them computationally.
- Experience running high-throughput DFT.
- Experience with interatomic potentials.
- Chemistry software development experience (preferably public on e.g. GitHub, please share links to high impact pull request).
- Experience coding in Python or other similar languages.
Pluses
- Running high-throughput DFT workflows at the order of 5,000+ concurrent jobs.
- Prior experience in transitioning AI + computational research into production environments.
- Experience with additional ICME approaches (e.g., mechanistic structure-property modeling, Phase Field, CALPHAD, Atomistics, Molecular statics/dynamics, etc.).
- Experience with FEM software tools (e.g., ANSYS, ABAQUS, MOOSE, PRISMS).
- Experience with metal additive manufacturing techniques.
What We Offer
A competitive compensation package also includes the best in benefits:
- Medical, dental, and vision insurance for you and your family, covered at 100%
- Mental health and wellness support
- Unlimited PTO and 14+ company holidays per year
- Company-wide end-of-year shutdown, including two weeks of paid time off
- 401K
- Equity
Disclosure
Radical AI is committed to equal employment opportunity regardless of race, color, ancestry, national origin, religion, sex, age, sexual orientation, gender identity and expression, marital status, disability, or veteran status.
We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.