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Computational Chemistry Phd Jobs in Reston, VA (NOW HIRING)

Howard University

Assistant Professor

Washington, DC · On-site

... and computational modeling. • Proven ability to work collaboratively in interdisciplinary ... MINIMUM REQUIREMENTS: • PhD in Radiological Sciences, Physical Sciences, Chemistry, Biomedical ...

Howard

Assistant Professor

Washington, DC

Strong foundation in statistical analysis, data visualization, and computational modeling. Proven ... PhD in Radiological Sciences, Physical Sciences, Chemistry, Biomedical Engineering, Computer ...

All JobsComputational Chemistry Phd JobsComputational Chemistry Phd Jobs in Reston, VA

Computational Chemistry Phd information

See Reston, VA salary details

$34.9K

$50.2K

$66.1K

How much do computational chemistry phd jobs pay per year?

As of Sep 3, 2026, the average yearly pay for computational chemistry phd in Reston, VA is $50,247.00, according to ZipRecruiter salary data. Most workers in this role earn between $39,500.00 and $57,700.00 per year, depending on experience, location, and employer.

What is a computational chemistry PhD?

A Computational Chemistry PhD job involves using computer simulations, mathematical models, and theoretical methods to study chemical systems. Scientists in this role apply quantum mechanics, molecular dynamics, and machine learning to solve problems in drug discovery, materials science, and environmental chemistry. They work in academia, pharmaceutical companies, and technology firms to design molecules, predict properties, and optimize chemical processes.

What are the key skills and qualifications needed to thrive in the computational chemistry PhD position, and why are they important?

To thrive as a Computational Chemistry PhD, you need a deep understanding of quantum chemistry, molecular modeling, and statistical thermodynamics, typically supported by a doctoral degree in chemistry or related fields. Proficiency in computational tools and programming languages such as Gaussian, VASP, Python, and Linux environments is highly valued, along with experience using high-performance computing systems. Strong problem-solving skills, teamwork, and effective scientific communication help you excel in multidisciplinary environments. These skills enable you to design innovative research, interpret complex simulations, and effectively share findings with both technical and non-technical audiences.

What are the typical daily responsibilities of someone in a computational chemistry PhD role?

A typical day in a Computational Chemistry PhD role includes designing and running computational experiments, analyzing large datasets from simulations, and developing new computational methods or models. You may collaborate closely with experimental chemists, data scientists, and other researchers to interpret findings and shape research directions. Regular activities also include preparing scientific reports, contributing to publications, and participating in group meetings to discuss progress. This mix of independent analysis and teamwork ensures dynamic work and ongoing professional development.

What job categories do people searching Computational Chemistry Phd jobs in Reston, VA look for?

The top searched job categories for Computational Chemistry Phd jobs in Reston, VA are:

What cities near Reston, VA are hiring for Computational Chemistry Phd jobs?

Cities near Reston, VA with the most Computational Chemistry Phd job openings:

Computational Chemistry Phd jobs near you
Infographic showing various Computational Chemistry Phd job openings in Reston, VA as of August 2026, with employment types broken down into 79% Full Time, 19% Part Time, and 2% Contract. Highlights an 73% Physical, 5% Hybrid, and 22% Remote job distribution, with an average salary of $50,247 per year, or $24.2 per hour.

High Performance Computing Expert with Security Clearance

James Scott Group

Springfield, VA • On-site

$164K/yr

Contractor

Re-posted 20 days ago

Job description

James Scott, LLC is seeking an experienced Key position professional with senior level knowledge of high-performance computing (HPC), capable of defining requirements and assessing potential technologies to develop a platform that will work at various security levels. The ideal candidate shall possess the following skills. There may be some flexibility in on some of the below listed skills. • Master’s degree in computational mathematics + 10 years of experience (YOE), or PhD in computation mathematics +7 YOE in related technical or scientific fields such as engineering, physics, computational chemistry or related STEM degree
• TS/SCI clearance adjudication or TS and ability to obtain SCI and a conclusive poly or willingness to take a poly
• Experience with HPC management including current knowledge of HPC technology and applications, recent experience in obtaining ATO for an HPC system, and application of HPC concepts to Space Situational Awareness
• Demonstrated implementation of multi-level security requirements of both physical and cyber, high- performance astrophysics-based capacity, high performance visualization compute capacity, private controlled cloud solutions, and AI compute
• Experience protecting data and implementing controls such as CONMON, MAC, CAD, ABAC, RBAC, RiBAC, PKI, SSO
• Experience with cross domain solutions
• Demonstrated experience employing analytics and quantifiable, physics based metric models for data analysis
• Experience with data fusion models that assess confidence in data accumulated from multiple sources
• Familiar or experience with NRO, AF SPO offices, or neighboring organizations

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