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Intern Density Functional Theory Scientist Jobs (NOW HIRING)

$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 ...

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Intern Density Functional Theory Scientist information

What does an intern density functional theory scientist do?

An Intern Density Functional Theory (DFT) Scientist assists in conducting computational research by applying DFT methods to study the electronic structure of atoms, molecules, and materials. They typically work under the supervision of experienced scientists, running simulations, analyzing data, and helping interpret results to understand material properties or chemical reactions. The internship provides hands-on experience with quantum chemistry software, coding, and scientific problem-solving, making it valuable for students interested in materials science, chemistry, or physics.

What types of projects and responsibilities can an intern density functional theory scientist expect during their internship?

As an Intern Density Functional Theory (DFT) Scientist, you will typically assist with computational modeling and simulations of materials, molecules, or chemical reactions using DFT methods. Your daily tasks may include running calculations, analyzing electronic structure data, preparing reports, and collaborating with senior scientists to interpret results. Interns often contribute to ongoing research projects, participate in group meetings, and may have the opportunity to co-author scientific papers. This role provides a valuable opportunity to develop practical skills in quantum chemistry software and to gain insight into how theoretical methods support experimental research in both academic and industrial settings.

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

To thrive as an Intern Density Functional Theory (DFT) Scientist, you need a solid background in quantum chemistry, physics, or materials science, often demonstrated through relevant coursework or research experience. Familiarity with computational chemistry software (such as VASP, Quantum ESPRESSO, or Gaussian) and programming languages like Python or Fortran is typically required. Strong analytical thinking, attention to detail, and effective communication skills help you interpret results and collaborate within research teams. These skills and qualities are crucial for conducting accurate simulations, contributing to scientific advancements, and working efficiently in research environments.
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Infographic showing various Intern 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 85% Physical, 5% Hybrid, and 10% Remote job distribution.

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

University of Georgia- FACS

On-site

$90 - $130/hr

Other

Posted 6 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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