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Trainee Density Functional Theory Scientist Jobs

$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 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 ...

... 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 (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 ...

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How much do trainee density functional theory scientist jobs pay per hour?

As of Aug 25, 2026, the average hourly pay for trainee density functional theory scientist in the United States is $38.99, according to ZipRecruiter salary data. Most workers in this role earn between $33.89 and $42.55 per hour, depending on experience, location, and employer.

What does a trainee density functional theory scientist do?

A Trainee Density Functional Theory (DFT) Scientist is an early-career researcher who applies the principles of quantum mechanics to study the electronic structure of atoms, molecules, and materials. They use computational methods, particularly DFT, to predict physical properties, optimize structures, and analyze chemical reactions. Their work often involves running simulations, developing models, and interpreting data under the guidance of more experienced scientists. This role is typically aimed at graduates in chemistry, physics, or materials science who are building expertise in computational research.

What are the key skills and qualifications needed to thrive as a trainee density functional theory scientist?

To thrive as a Trainee Density Functional Theory (DFT) Scientist, a strong background in quantum mechanics, computational chemistry or physics, and at least a bachelor's or master's degree in a related field are essential. Familiarity with DFT software packages (such as VASP, Gaussian, or Quantum ESPRESSO), programming languages (like Python or Fortran), and high-performance computing environments is typically required. Analytical thinking, problem-solving ability, and effective communication are important soft skills for interpreting results and collaborating with research teams. These skills are crucial for conducting accurate simulations, advancing scientific understanding, and contributing to successful research outcomes.

What are some common challenges faced by trainee density functional theory scientists when transitioning from academic study to a professional research environment?

Trainee Density Functional Theory (DFT) Scientists often find that adapting to the pace and collaborative nature of professional research teams can be challenging after the more individual focus of academic work. In industry or large research institutions, projects typically involve tight deadlines, multidisciplinary teams, and the need to communicate findings clearly to both specialists and non-specialists. Additionally, trainees may need to quickly familiarize themselves with new software tools, high-performance computing platforms, and proprietary workflows that differ from academic resources. Embracing feedback, effective teamwork, and continuous learning are key to a smooth transition and long-term success in the field.
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Infographic showing various Trainee Density Functional Theory Scientist job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 89% Full Time, 6% Part Time, and 4% Contract. Highlights an 84% Physical, 5% Hybrid, and 11% Remote job distribution, with an average salary of $81,095 per year, or $39 per hour.

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.

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