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Molecular Modeling Jobs in Virginia (NOW HIRING)

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

Adapts instruction using molecular model kits, Tanabe-Sugano diagrams, and visualization software to support advanced undergraduate chemistry and materials science students. * Effective Teaching ...

AP Chemistry Tutor

Norfolk, VA · Remote

$18 - $40/hr

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

AP Chemistry Tutor

Leesburg, VA · Remote

$18 - $40/hr

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

AP Chemistry Tutor

Richmond, VA · Remote

$18 - $40/hr

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

AP Chemistry Tutor

Blacksburg, VA · Remote

$18 - $40/hr

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

AP Chemistry Tutor

Alexandria, VA · Remote

$18 - $40/hr

Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...

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Showing results 1-20

Molecular Modeling information

See Virginia salary details

$10.9K

$80K

$102.6K

How much do molecular modeling jobs pay per year?

As of Aug 14, 2026, the average yearly pay for molecular modeling in Virginia is $79,995.00, according to ZipRecruiter salary data. Most workers in this role earn between $68,400.00 and $97,700.00 per year, depending on experience, location, and employer.

What is a molecular modeling?

A Molecular Modeling job involves using computer simulations and theoretical techniques to study molecular structures, interactions, and properties. Professionals in this field apply computational chemistry, molecular dynamics, and quantum mechanics to predict molecular behavior in drug discovery, materials science, and biochemistry. They work with specialized software and collaborate with experimental scientists to design and optimize compounds for various applications.

What are the typical career advancement opportunities for someone in molecular modeling?

Molecular modeling professionals can pursue a variety of career advancement opportunities, including progressing to lead scientist or principal investigator roles, moving into project management, or specializing in areas like drug design or materials science. With experience, you may also transition into roles in academia, regulatory affairs, or scientific consulting. Continued professional development through advanced degrees, certifications, or technical workshops can further expand your options and responsibilities. Additionally, collaborating on interdisciplinary projects and publishing research can enhance your reputation and open doors to leadership positions in the field.

What are the key skills and qualifications needed to thrive in molecular modeling, and why are they important?

To thrive in Molecular Modeling, you typically need a strong background in chemistry, biochemistry, or a related field, with a solid understanding of molecular structures and computational methods. Experience with molecular modeling software such as Schrödinger, MOE, or Gaussian, as well as familiarity with scripting languages like Python, is highly valuable. Analytical thinking, problem-solving abilities, and effective communication are key soft skills for interpreting complex data and collaborating with interdisciplinary teams. These qualifications are crucial for accurately modeling molecular systems, advancing research projects, and facilitating successful teamwork in scientific environments.

What are the most commonly searched types of Molecular Modeling jobs in Virginia?

The most popular types of Molecular Modeling jobs in Virginia are:

Infographic showing various Molecular Modeling job openings in Virginia as of August 2026, with employment types broken down into 88% Full Time, 10% Part Time, and 2% Contract. Highlights an 84% Physical, 5% Hybrid, and 11% Remote job distribution, with an average salary of $79,995 per year, or $38.5 per hour.

Materials and Chemistry AI Scientist

The MITRE Corporation

Mclean, VA • On-site

Other

Posted yesterday

New


MITRE Corporation rating

8.2

Company rating: 8.2 out of 10

Based on 8 frontline employees who took The Breakroom Quiz

157th of 447 rated engineering


Job description

Why choose between doing meaningful work and having a fulfilling life? At MITRE, you can have both. That's because MITRE people are committed to tackling our nation's toughest challenges-and we're committed to the long-term well-being of our employees. MITRE is different from most technology companies. We are a not-for-profit corporation chartered to work for the public interest, with no commercial conflicts to influence what we do. The R&D centers we operate for the government create lasting impact in fields as diverse as cybersecurity, healthcare, aviation, defense, and enterprise transformation. We're making a difference every day-working for a safer, healthier, and more secure nation and world. Our workplace reflects our values. We offer competitive benefits, exceptional professional development opportunities for career growth, and a culture of innovation that embraces adaptability, collaboration, technical excellence, and people in partnership. If this sounds like the choice you want to make, then choose MITRE - and make a difference with us.
Department Summary:
MITRE Technology and Engineering (MTE)'s Chemical and Optical Sciences Department serves as a vanguard for MITRE to meet the future needs of our customers, requiring technical excellence while encouraging creativity and fostering interests in current and emerging technologies across its diverse employees. Your future colleagues are a collegial team from diverse technical backgrounds who work across MITRE's sponsors and partners focused on the public good.
Roles & Responsibilities:
  • Develop deep learning and classical machine learning (ML) models for applications in chemistry and material science
  • Building ML pipelines and statistical analysis
  • Partner with experimentalists to design and develop new ML algorithms
  • Work in the public interest to provide novel materials solutions to our sponsors' most critical problems
  • Be an independent contributor in laboratory experimentation efforts related to new materials fabrication, characterization, and analysis
  • Be familiar with emerging materials concepts and be able to formulate experiments focused on validating the applicability of said concepts to a variety of different application/mission spaces
  • Interface with sponsors to discuss their most critical technical problems
  • Be able to propose novel materials-based ideas within MITRE's internal research and development program.
  • As needed and desired, contribute to other technical tasks requiring physical science and engineering expertise, including, but not limited to, next-generation materials for microelectronics.
  • Some domestic travel will be necessary.

Basic Qualifications:
  • PhD with relevant experience who can immediately contribute at this job level
  • Ph.D. in Chemistry, Materials Science, Chemical Engineering, Computational Chemistry, Materials Informatics, Physics, Computer Science or a closely related STEM discipline (or MS with additional experience).
  • Proficiency in Python and data science core libraries NumPy, PyTorch, JAX, pandas scikit-learn
  • Familiarity with software engineering best practices (version control, documentation) and open-source contributions
  • Firm grasp of materials science and engineering, with an emphasis on polymer/elastomer composites.
  • Demonstrated ability to communicate complex technical concepts to multidisciplinary teams and government sponsors.
  • Experience leading independent research efforts and transitioning innovative concepts into operationally relevant capabilities.
  • Strong systems thinking and ability to connect fundamental science with mission outcomes.
  • The ability to obtain a Department of War SECRET clearance
  • This position requires a minimum of 4 days a week on-site

Preferred Qualifications:
  • Experience applying AI to laboratory automation, including autonomous experimentation, inverse design, or closed-loop optimization.
  • Peer-reviewed publications applying AI/ML to chemistry and/or materials science
  • Experience developing and applying deep learning methods for scientific discovery, including graph neural networks (GNNs), transformer architectures, diffusion models, flow matching models, and representation learning for molecular and materials systems.
  • Understanding of symmetry-aware ML concepts relevant to materials science, including equivariant neural networks, geometric deep learning, and physics-informed or symmetry-preserving model architectures.
  • Experience with computational chemistry and materials science python libraries, including one or more of:
    • pymatgen
    • Atomic Simulation Environment (ASE)
    • RDKit
    • matminer
    • FireWorks
    • scikit-learn
    • PyTorch
  • Familiarity with atomistic simulation methods, molecular modeling, density functional theory (DFT), molecular dynamics (MD), or high-throughput computational screening workflows.
  • Experience with foundation models, large language models, scientific ML, AI agents, or autonomous research systems for scientific reasoning and discovery.
  • Record of open-source software contributions, or successful transition of research into operational capabilities.
  • Demonstrated success leading multidisciplinary teams spanning AI, chemistry, materials science, software engineering, robotics, and systems engineering.
  • Experience identifying emerging technologies and shaping research strategies aligned with national security priorities.
  • Passion for advancing trustworthy and responsible AI for scientific applications.
  • Excellent written and verbal communication skills with technical and executive stakeholders
  • Active or current DoD security clearance (Secret or higher).

This requisition requires the candidate to have a minimum of the following clearance(s):
None
This requisition requires the hired candidate to have or obtain, within one year from the date of hire, the following clearance(s):
Secret
Salary compensation range and midpoint:
$143,600 - $179,500 - $215,400 Annual
Work Location Type:
Onsite
Commitment to Non-Discrimination
All qualified applicants will receive consideration for employment without regard to disability, status as a protected veteran or any other status protected by applicable federal, state, local or international law.
MITRE intends to maintain a website that is fully accessible to all individuals. If you are unable to search or apply for jobs and would like to request a reasonable accommodation for any part of MITRE's employment process, please email for general support and for intern positions. This service is for individuals requiring reasonable accommodation requests. Please note that vendor solicitations will not receive a reply.
Benefits information may be found here.
Copyright 1997-2026, The MITRE Corporation. All rights reserved. MITRE is a registered trademark of The MITRE Corporation. Material on this site may be copied and distributed with permission only.

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About MITRE

Sourced by ZipRecruiter

Why choose between doing meaningful work and having a fulfilling life? At MITRE, you can have both. That's because MITRE people are committed to tackling our nation's toughest challenges-and we're committed to the long-term well-being of our employees. MITRE is different from most technology companies. We are a not-for-profit corporation chartered to work for the public interest, with no commercial conflicts to influence what we do. The R&D centers we operate for the government create lasting impact in fields as diverse as cybersecurity, healthcare, aviation, defense, and enterprise transformation. We're making a difference every day-working for a safer, healthier, and more secure nation and world. Our workplace reflects our values. We offer competitive benefits, exceptional professional development opportunities, and a culture of innovation that embraces diversity, inclusion, flexibility, collaboration, and career growth. If this sounds like the choice you want to make, then choose MITRE-and make a difference with us. MITRE is a trusted operator of federally funded research and development centers and we're on a mission to make the world a safer place-for all of humanity, today and in the future. To deliver on our mission, we need the world's best talent and leaders-groundbreakers and partnership-builders on a global scale in areas like healthcare, artificial intelligence, critical infrastructure resiliency, pandemic management, and cybersecurity. In return, we have the privilege of backing you with thousands of technical experts in diverse fields, a culture of innovation and knowledge sharing, access to data and resources uniquely available to MITRE through our wide-ranging partnerships across government, industry and academia.

Industry

It services

Company size

5,001 - 10,000 Employees

Headquarters location

McLean, VA, US

Year founded

1958

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