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Entry Level Density Functional Theory Scientist information

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$50.5K

$111.3K

$137.5K

How much do entry level density functional theory scientist jobs pay per year?

As of Aug 21, 2026, the average yearly pay for entry level density functional theory scientist in the United States is $111,343.00, according to ZipRecruiter salary data. Most workers in this role earn between $94,500.00 and $137,000.00 per year, depending on experience, location, and employer.

What does an entry level density functional theory scientist do?

An Entry Level Density Functional Theory (DFT) Scientist applies computational chemistry methods, primarily density functional theory, to study the electronic structure of molecules and materials. They perform simulations and calculations to predict properties such as energy, structure, and reactivity, often supporting experimental research. These scientists typically work in academic, industrial, or government labs and collaborate with senior researchers to solve scientific problems. Their responsibilities may include running DFT calculations using specialized software, analyzing results, and preparing reports or publications.

What are some common challenges faced by entry level density functional theory scientists during their initial projects?

Entry-level DFT scientists often encounter challenges such as mastering computational chemistry software, understanding the nuances of various functionals and basis sets, and managing the computational resources required for simulations. Additionally, interpreting results and troubleshooting convergence issues can be complex. Close collaboration with senior scientists and regular team discussions help new scientists learn best practices and accelerate their professional development.

What are the key skills and qualifications needed to thrive as an entry level density functional theory scientist, and why are they important?

To thrive as an Entry Level Density Functional Theory (DFT) Scientist, you need a strong background in quantum chemistry or condensed matter physics, usually supported by a relevant bachelor's or master's degree. Proficiency in computational chemistry software such as VASP, Gaussian, or Quantum ESPRESSO, along with familiarity with programming languages like Python, is typically required. Analytical thinking, problem-solving abilities, and effective communication are essential soft skills for interpreting results and collaborating with multidisciplinary teams. These skills and qualifications are vital for accurately modeling materials and molecules, generating reliable data, and contributing to impactful scientific research.

What is the difference between Entry Level Density Functional Theory Scientist vs Computational Chemist?

AspectEntry Level Density Functional Theory ScientistComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Physics, or related field; basic knowledge of DFTBachelor's or Master's in Chemistry, Chemical Engineering, or related; broader computational skills
Work EnvironmentResearch labs, academic institutions, or industry R&D teams focused on quantum simulationsResearch labs, pharmaceutical companies, or materials science firms using computational modeling
Industry UsagePrimarily in academia and research institutions for quantum chemistry studiesWidely used across pharmaceuticals, materials, and chemical industries for molecular modeling

The main difference is that an Entry Level Density Functional Theory Scientist specializes specifically in quantum mechanical calculations using DFT methods, while a Computational Chemist has a broader role involving various computational techniques. Both roles require similar educational backgrounds but differ in focus and application areas.

What are the most commonly searched types of Density Functional Theory Scientist jobs?

The most popular types of Density Functional Theory Scientist jobs are:

Entry Level Density Functional Theory Scientist jobs near you

Computational Research Scientist (Two-Dimensional Materials and Low-Pressure Processing Plasma)

Princeton Plasma Physics Laboratory

Princeton, NJ • On-site

$111K - $178K/yr

Full-time

Posted 10 days ago

Job description

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.
A U.S. Department of Energy National Laboratory managed by Princeton University, the Princeton Plasma Physics Laboratory (PPPL) is tackling the world's toughest science and technology challenges using plasma, the fourth state of matter. With more than 70 years of history, PPPL is a leader in the science and engineering behind the development of fusion energy, a potentially limitless energy source. PPPL is also using its expertise to advance research in the areas of microelectronics, quantum sensors and devices, and sustainability sciences. Whether it be through science, engineering, technology or professional services, every team member has an opportunity to contribute to our mission and vision. Come join us!
Responsibilities
Application of ab initio molecular dynamics to low-temperature plasmas for processing of two-dimensional materials and associated technologies. The capabilities will be deployed for optimization of processing techniques of these materials. The candidate will be responsible for contributing to ongoing project on processing of two-dimensional materials based on transit metal dichalcogenides (50%). Defining and delivering on A.I. projects for low-temperature plasmas (20%). Proposal ideation and preparation (10%). Modeling plasma processing for industry partners (20%). Publishing scientific results and dissemination at major international conferences (10%).
Qualifications
  • Ph.D. in Physics, Engineering or a related field with core training in low-temperature plasma physics and high-performance computing.
  • Minimum 3 years of professional experience in an academic, scientific, or R&D environment.
  • A proven track record of publishing original results in peer-reviewed scientific journals.
  • Demonstrated collaborative experience within academia and with industry.

Knowledge, Skills, and Abilities:
  • Extensive practical experience using first-principles methods to study materials relevant to microelectronics, quantum devices, and plasma assisted processing, including ab initio molecular dynamics and classical molecular dynamics simulations. Strong ability to connect atomistic simulation results to experimentally relevant materials properties and processing outcomes, including defect formation, surface functionalization, selective etching, plasma-induced damage, optoelectronic properties, surface cleaning, and modification of 2D materials
  • Practical knowledge of low-temperature plasma processing of materials, including plasma-assisted etching, ion/surface interactions, fluorination, oxygen and hydrogen surface chemistry, plasma activated desorption, and highly selective or self-limiting processes relevant to nanofabrication of microelectronics and quantum-device materials. Ability to develop computational workflows that support optimization of plasma processing conditions and interpretation of experimental observations
  • Advanced experience with major electronic structure, molecular dynamics, and quantum chemistry software packages, including VASP, CP2K, Gaussian, Quantum ESPRESSO, LAMMPS, and related atomistic modeling tools.
  • Strong record of scientific publication and conference presentation in electronic structure calculations, 2D materials, defects, and plasma-assisted processing of 2D materials. Ability to communicate complex computational results clearly to scientific, engineering, experimental, academic, and industrial audiences.
  • Demonstrated ability to work collaboratively in multidisciplinary research environments involving theory, computation, experiment, and industry-relevant materials processing applications. Ability to contribute to proposal ideation, preparation of research plans, development of new computational capabilities, and dissemination of results through peer-reviewed publications, talks, and major international conferences.
  • Experience in Molecular Dynamics Study of Plasma related materials like Liquid Lithium (and Boron) Interaction with H, D, and Impurities.

Princeton University is an Equal Opportunity Employer and all qualified applicants will receive consideration for employment without regard to age, race, color, religion, sex, sexual orientation, gender identity or expression, national origin, disability status, protected veteran status, or any other characteristic protected by law.
The University considers factors such as (but not limited to) scope and responsibilities of the position, candidate's qualifications, work experience, education/training, key skills, market, collective bargaining agreements as applicable, and organizational considerations when extending an offer. The posted salary range represents the University's good faith and reasonable estimate for a full-time position; salaries for part-time positions are pro-rated accordingly.
If the salary range on the posted position shows an hourly rate, this is the baseline; the actual hourly rate may be higher, depending on the position and factors listed above.
The University also offers a comprehensive benefit program to eligible employees. Please see this link for more information.
Please be aware that the Department of Energy (DOE) prohibits DOE employees and contractors from participation in certain foreign government talent recruitment programs. All PPPL employees are required to disclose any participation in a foreign government talent recruitment program and may be required to withdraw from such programs to remain employed under the DOE Contract.
Standard Weekly Hours
40.00
Eligible for Overtime
No
Benefits Eligible
Yes
Probationary Period
180 days
Essential Services Personnel (see policy for detail)
No
Physical Capacity Exam Required
No
Valid Driver's License Required
No
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Salary Range
$111,400 to $178,000

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