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Internship Density Functional Theory Jobs (NOW HIRING)

$90 - $130/hr

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 ...

$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 ...

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Relevant industry experience via internship and co-op * Publication records in computational ...

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Relevant industry experience via internship and co-op * Publication records in computational ...

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Relevant industry experience via internship and co-op * Publication records in computational ...

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 ...

Computational Materials Scientist

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 ...

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Internship Density Functional Theory information

What is an internship in density functional theory?

An internship in Density Functional Theory (DFT) is a temporary position, often for students or recent graduates, that provides hands-on experience in computational chemistry or physics using DFT methods. Interns typically work on projects involving electronic structure calculations, materials modeling, or quantum mechanics under the supervision of experienced researchers. This role is ideal for those interested in theoretical and computational research, and it helps develop skills in programming, data analysis, and scientific communication. Interns may also have the opportunity to contribute to publications or present their findings at conferences.

What types of projects and collaborations can I expect during an internship in density functional theory?

As a DFT intern, you can expect to work on computational projects that involve simulating and analyzing the electronic structure of materials or molecules. You will often collaborate closely with both theoretical and experimental researchers, contributing to ongoing research papers or larger grant-funded projects. Your daily tasks may include running DFT calculations, interpreting results, and discussing findings with your supervisor or research group members. This collaborative environment provides excellent opportunities to learn advanced computational chemistry or physics techniques and to build a professional network within the field.

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

To thrive in a Density Functional Theory (DFT) internship, you generally need a solid background in physics, chemistry, or materials science, along with coursework or research experience in quantum mechanics and computational modeling. Familiarity with DFT software packages like VASP, Quantum ESPRESSO, or Gaussian, as well as programming skills in Python or Fortran, are highly valued. Strong analytical thinking, problem-solving abilities, and effective communication skills help interns interpret results and collaborate with research teams. These competencies are essential for conducting accurate simulations, advancing research objectives, and contributing meaningful insights in computational science projects.

What is the difference between Internship Density Functional Theory vs Internship Computational Chemistry?

AspectInternship Density Functional TheoryInternship Computational Chemistry
Required CredentialsUndergraduate or graduate in chemistry, physics, or related fieldsUndergraduate or graduate in chemistry, physics, or related fields
Work EnvironmentResearch labs, academic institutions, industry R&DResearch labs, academic institutions, industry R&D
Industry UsageMaterial science, quantum chemistry, physics researchDrug discovery, material design, chemical analysis

Internship Density Functional Theory focuses on applying quantum mechanical models to study electronic structures, while Internship Computational Chemistry covers a broader range of computational methods for chemical problems. Both roles often share similar educational backgrounds and work environments, but Density Functional Theory is more specialized in electronic structure calculations, whereas Computational Chemistry includes various simulation techniques.

More about Internship Density Functional Theory jobs

What cities are hiring for Internship Density Functional Theory jobs?

Cities with the most Internship Density Functional Theory job openings:

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

The most popular types of Density Functional Theory jobs are:

What states have the most Internship Density Functional Theory jobs?

States with the most job openings for Internship Density Functional Theory jobs include:

Infographic showing various Internship Density Functional Theory job openings in the United States as of August 2026, with employment types broken down into 14% Internship, 71% Full Time, 5% Part Time, 5% Temporary, and 5% Contract. Highlights an 90% In-person, 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 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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