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Generative Ai Chemistry Jobs in Reston, VA (NOW HIRING)

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Generative Ai Chemistry information

See Reston, VA salary details

$14

$23

$33

How much do generative ai chemistry jobs pay per hour?

As of Sep 4, 2026, the average hourly pay for generative ai chemistry in Reston, VA is $23.15, according to ZipRecruiter salary data. Most workers in this role earn between $18.99 and $25.53 per hour, depending on experience, location, and employer.

What is generative AI in chemistry?

Generative AI in chemistry refers to the use of artificial intelligence models, particularly generative models like deep learning neural networks, to design new molecules, predict chemical properties, and accelerate drug discovery. These AI systems can analyze vast chemical datasets to propose novel compounds with desired characteristics, reducing the time and cost of traditional experimental methods. By leveraging machine learning, generative AI helps chemists explore chemical space more efficiently and discover innovative solutions in pharmaceuticals, materials science, and other chemistry fields.

What are common challenges faced by professionals working in generative AI chemistry roles?

Professionals in Generative AI Chemistry often encounter challenges such as integrating domain-specific chemical knowledge with advanced AI techniques, ensuring the quality and interpretability of generated molecular structures, and validating AI-generated compounds against real-world experimental data. Collaboration with chemists, data scientists, and computational researchers is vital to bridge gaps between theoretical models and practical applications. Staying updated with rapidly evolving AI methodologies and chemical informatics tools is also essential for success in this interdisciplinary field.

What are the key skills and qualifications needed to thrive as a generative AI chemistry specialist?

To thrive as a Generative AI Chemistry Specialist, you need a strong background in computational chemistry, machine learning, and data analysis, typically supported by an advanced degree in chemistry, computer science, or related fields. Experience with programming languages (such as Python), deep learning frameworks (like TensorFlow or PyTorch), and cheminformatics tools (such as RDKit) is essential. Excellent problem-solving abilities, strong collaboration skills, and clear scientific communication are critical soft skills for success in this interdisciplinary field. These competencies enable the effective design and implementation of AI-driven solutions for chemical discovery, accelerating research and innovation.

What is the difference between Generative Ai Chemistry vs Data Scientist?

AspectGenerative Ai ChemistryData Scientist
Required CredentialsAdvanced degrees in Chemistry, AI, or related fieldsDegree in Data Science, Statistics, or Computer Science
Work EnvironmentResearch labs, pharmaceutical companies, AI startupsTech firms, finance, healthcare, consulting
Industry UsageDrug discovery, chemical modeling, AI-driven chemistry researchData analysis, predictive modeling, business insights

Generative Ai Chemistry focuses on applying AI techniques to chemical research and drug development, often requiring chemistry and AI expertise. Data Scientists analyze data across various industries, including tech and finance, to extract insights. While both roles involve AI and data skills, Generative Ai Chemistry is specialized in chemical applications, whereas Data Scientists have broader industry applications.

What job categories do people searching Generative Ai Chemistry jobs in Reston, VA look for?

The top searched job categories for Generative Ai Chemistry jobs in Reston, VA are:

Generative Ai Chemistry jobs near you

AI Scientist- Computational Chemistry

AIToolboard

Ashburn, VA • On-site

$150 - $210/hr

Other

Posted 17 days ago

Key responsibilities

  • Develop, implement, and execute innovative AI-based research projects related to computational chemistry and biological discoveries.

  • Collaborate with scientists, engineers, and technicians, and coordinate project phases to develop new methods, tools, and research outputs.

  • Apply AI and computational methods to develop chemical and biochemical tools such as fluorescent probes, biosensors, and imaging agents.

Job description

Jobs / AI Scientist- Computational Chemistry

AI Scientist- Computational Chemistry

Full-time

About the Role

About this role:HHMI has made a landmark $500 million commitment to support AI-driven projects and to embed AI systems throughout every stage of the scientific process in labs across HHMI. The AI initiative will be centered at HHMI’s Janelia Research Campus. Janelia has been at the forefront of AI-driven research in biology for more than 15 years. Its forward-thinking structure, centralized funding, and collaborative culture make it ideally suited to take this bold leap forward. To learn more about the initiative, visit ai.hhmi.org.The Artificial Intelligence (AI) Scientist is an outstanding independent scientist who develops, implements, and executes innovative AI-based research projects to make biological discoveries or to generate new research tools. AI Scientists create, lead, or participate in research projects of variable scale, ranging from individual work to HHMI-wide strategic initiatives. The AI Scientist will work closely with scientists from across the broader HHMI community. They participate in, build, or supervise highly collaborative research teams consisting of other scientists, engineers, and technicians.

What We Provide
  • A competitive compensation package with comprehensive health and welfare benefits. In addition to the base salary described below, this position may also be eligible for incentive pay.
  • Generous training and travel opportunities to workshops and conferences.
  • Access to state-of-the-art computational infrastructure and extended capabilities provided through assistance from Janelia’s Support teams and Project teams.
  • A healthy work-life balance, with on‑site childcare, free gyms, on‑campus housing, vibrant social and dining spaces, and shuttle‑bus service to Janelia from Washington, DC metro area!
  • Flexible work arrangements are available.
  • Relocation assistance provided for non‑local candidates who wish to transition to the Washington, DC, metro area.
What You’ll Do
  • Plan, initiate, and rigorously execute independent or collaborative AI-based research; may manage personnel and budgets towards this goal.
  • Plan and perform scientific duties on new and varied problems where only general objectives are stated.
  • Closely collaborate with other scientists, engineers, and technicians.
  • Initiate and remain flexible to transfer between projects and groups as appropriate.
  • Coordinate broad phases of projects and perform advanced development work to obtain and maintain technical leadership in the field of AI.
  • May assist HHMI and Janelia leadership in planning and execution of program‑wide initiatives; ensures coordination with related efforts or other projects and research areas.
  • Provide mentoring and leadership to others.
  • Participate in the review of other projects and scientists and provide input and guidance in a collaborative and constructive way.
  • Explore and develop new methods, skills, and tools. Make research outputs available through peer‑reviewed scientific publications, high‑quality datasets, code, and applications. Participate in patent disclosures where appropriate.
  • Apply AI and computational methods, including generative molecular design, molecular property prediction, and physics‑based simulation, to the development of chemical and biochemical tools such as fluorescent probes, biosensors, and imaging agents, working in close collaboration with experimental chemists and protein engineers.
  • Adhere to the highest academic, scientific, and ethical standards in all professional activities.
What You Bring
  • Ph.D. in Computer Science, AI, Machine Learning, Applied Mathematics, Physics, Chemistry, Chemical Engineering, Computational Chemistry, Biochemistry, Materials Science, or a related field — or equivalent combination of education and experience.
  • Demonstrated record of rigorous, innovative research evidenced by peer‑reviewed publications, high‑quality open‑source contributions, or impactful scientific applications, typically reflecting 5 or more years of research experience.
  • Deep expertise in computational chemistry, molecular photophysics, or a closely related field — including experience with excited‑state property prediction, fluorescent molecule or biosensor design, photoswitches, or related functional molecular systems, and familiarity with quantum chemistry methods (DFT, TD-DFT, or correlated approaches) for predicting photophysical properties such as absorption/emission spectra, quantum yield, and photostability. Candidates with this foundation who are actively building ML capabilities are strongly encouraged to apply.
  • Strong working knowledge of AI/ML methods — including deep learning, probabilistic modeling, and generative or optimization‑based molecular design — with an emphasis on physics‑guided or mechanism‑aware approaches suited to data‑limited chemical domains. Proficiency in PyTorch, JAX, or equivalent frameworks, and strong progr
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