ZipRecruiter

Log In

2

Entry Level Density Functional Theory Scientist Jobs

University of Georgia- FACS

$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 ...

New

SES

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 ...

1910

Computational Theoretical Chemist I

Boston, MA

... science, and software engineering to develop drugs for previously undruggable targets. Role ... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ...

1910

Computational Theoretical Chemist I

Boston, MA

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...

1910

Computational Theoretical Chemist II

Boston, MA · On-site

... density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both ... Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and ...

next page

Showing results 1-20

All JobsDensity Functional Theory Scientist JobsEntry Level Density Functional Theory Scientist Jobs

Entry Level Density Functional Theory Scientist information

See salary details

$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...

University of Georgia- FACS

On-site

$90 - $130/hr

Other

Posted 3 days ago

New

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.

#J-18808-Ljbffr

Apply