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Machine Learning Chemistry Jobs in Washington (NOW HIRING)

GAP Solutions, Inc

Scientist (52632)

Bethesda, MD · On-site

$215K - $228K/yr

... chemistry and structural biology. * Develop new machine learning techniques in response to NIMH researcher needs, in particular in natural language processing for structured prediction problems, the ...

GAP SOLUTIONS INC

Scientist (52632)

Bethesda, MD · On-site

... chemistry and structural biology. * Develop new machine learning techniques in response to NIMH researcher needs, in particular in natural language processing for structured prediction problems, the ...

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All JobsMachine Learning Chemistry JobsMachine Learning Chemistry Jobs in Washington

Machine Learning Chemistry information

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$15

$25

$36

How much do machine learning chemistry jobs pay per hour?

As of Sep 8, 2026, the average hourly pay for machine learning chemistry in Washington is $25.21, according to ZipRecruiter salary data. Most workers in this role earn between $20.67 and $27.79 per hour, depending on experience, location, and employer.

What is a machine learning chemistry?

A Machine Learning Chemistry job involves using artificial intelligence techniques to analyze chemical data, model molecular behaviors, and accelerate discoveries in chemistry-related fields. Professionals in this role develop and apply machine learning algorithms to predict chemical properties, optimize reactions, and assist in drug design, material science, and other applications. They typically work in pharmaceuticals, materials science, or environmental chemistry, collaborating with chemists, data scientists, and engineers to solve complex chemical problems efficiently.

What does a machine learning chemistry do?

Professionals in Machine Learning Chemistry often work on projects such as developing predictive models for chemical property analysis, optimizing molecular structures, or advancing drug discovery through data-driven methods. Daily tasks may include data preprocessing, building and training machine learning models, validating results, and interpreting outcomes in collaboration with experimental chemists. Teamwork is common, with regular interactions between chemistry researchers, data scientists, and software engineers. This structure allows for iterative feedback and ensures that computational models align with practical lab needs. Continuous learning and adaptation are also key, as both the chemistry and machine learning fields are rapidly evolving.

What are the key skills and qualifications needed to thrive in machine learning chemistry?

To thrive in a Machine Learning Chemistry role, you need a solid background in chemistry, expertise in data science and machine learning algorithms, and typically an advanced degree in chemistry, computer science, or a related field. Familiarity with programming languages like Python or R and experience working with cheminformatics tools and machine learning frameworks (such as TensorFlow or scikit-learn) are essential. Strong analytical thinking, problem-solving abilities, and effective communication skills enable professionals to bridge the gap between computational work and experimental research teams. These competencies are crucial for developing innovative solutions in chemical research and ensuring successful collaboration across interdisciplinary teams.

What are the most commonly searched types of Machine Learning Chemistry jobs in Washington?

The most popular types of Machine Learning Chemistry jobs in Washington are:

What are popular job titles related to Machine Learning Chemistry jobs in Washington?

For Machine Learning Chemistry jobs in Washington, the most frequently searched job titles are:

What job categories do people searching Machine Learning Chemistry jobs in Washington look for?

The top searched job categories for Machine Learning Chemistry jobs in Washington are:

What cities in Washington are hiring for Machine Learning Chemistry jobs?

Cities in Washington with the most Machine Learning Chemistry job openings:

Machine Learning Chemistry jobs near you
Infographic showing various Machine Learning Chemistry job openings in Washington as of August 2026, with employment types broken down into 4% Internship, 75% Full Time, 17% Part Time, and 4% Nights. Highlights an 100% In-person job distribution, with an average salary of $52,430 per year, or $25.2 per hour.

NIST PREP Postdoc Associate Applying Machine Learning Methodologies to Predict Spectra of PFAS

Gaithersburg, MD • On-site

Southeastern Universities Research Association
11 - 50 employees
Learn more about Southeastern Universities Research Associationexternal

$90K - $110K/yr

Full-time

Re-posted 24 days ago

Job description

This position is part of the National Institute of Standards and Technology (NIST) Professional Research Experience Program (PREP). NIST recognizes that its research staff may want to collaborate with researchers at academic institutions on specific projects of mutual interest and, therefore, requires those institutions to be recipients of a PREP award. The PREP program involves staff from a wide range of backgrounds conducting scientific research across various fields. Individuals in this position will perform technical work supporting the collaboration's scientific research.
Research Title: Postdoctoral Researcher Applying Machine Learning Methodologies to Predict Spectra of PFAS Compounds
The work will entail: The Materials Measurement Laboratory of the National Institute of Standards and Technology is seeking qualified persons (U.S. Citizens preferred) to apply modern methods in artificial intelligence (AI) and machine learning (ML) to the problem of predicting infrared spectra and mass spectra for PFAS compounds. The candidate should have a strong background in AI/ML with application to chemical problems, have familiarity with infrared and mass spectra, and understand the relevant chemistry of PFAS molecules. This position will involve working with a team of chemists, physicists, mathematicians, data scientists and machine learning experts characterizing PFAS molecules used in the semiconductor industry with the goal of discovering new molecules for the semiconductor etching process.
U.S. Citizen Preferred
Key responsibilities will include but are not limited to:
  • Develop libraries of training data through mining of existing databases and simulation of infrared and mass spectra using quantum chemistry and related methodologies.
  • Create AI/ML models for high-fidelity prediction of the infrared and mass spectra and validate their use in matching experimentally measured spectra.
  • Collaborate with other computational and experimental researchers to meet project goals.
  • Disseminate results through publications, talks, poster presentations, etc.

Qualifications
  • PhD. in chemistry, physics, or a closely aligned field.
  • Demonstrated experience in conducting quantum scattering calculations.
  • Strong programming skills in languages such as Python or C/C++, experience using modern software frameworks for AI/ML, and experience in data analysis.
  • Motivated, independent researcher with good organizational, communication and leadership skills.
  • Solid track-record of scientific publication.

Privacy Act StatementAuthority: 15 U.S.C. § 278g-1(e)(1) and (e)(3) and 15 U.S.C. § 272(b) and (c)
Purpose: The National Institute for Standards and Technology (NIST) hosts the Professional Research Experience Program (PREP) which is designed to provide valuable laboratory experience and financial assistance to undergraduates, post-bachelor's degree holders, graduate students, master's degree holders, postdocs, and faculty.
PREP is a 5-year cooperative agreement between NIST laboratories and participating PREP Universities to establish a collaborative research relationship between NIST and U.S. institutions of higher education in the following disciplines including (but may not be limited to) biochemistry, biological sciences, chemistry, computer science, engineering, electronics, materials science, mathematics, nanoscale science, neutron science, physical science, physics, and statistics. This collection of information is needed to facilitate the administrative functions of the PREP Program.
Routine Uses: NIST will use the information collected to perform the requisite reviews of the applications to determine eligibility, and to meet programmatic requirements. Disclosure of this information is also subject to all the published routine uses as identified in the Privacy Act System of Records Notices: NIST-1: NIST Associates.
Disclosure: Furnishing this information is voluntary. When you submit the form, you are indicating your voluntary consent for NIST to use of the information you submit for the purpose stated. By applying to a CHIPS-funded PREP opportunity, you also acknowledge that participation in the project requires signing a Non-Disclosure Agreement (NDA) prior to beginning any work.
SURA is an Equal Opportunity Employer. We believe that no one should be discriminated against because of their differences, such as age, disability, ethnicity, gender, gender identity and expression, religion, or sexual orientation. All employment decisions shall be made without regard to age, race, creed, color, religion, sex, national origin, ancestry, disability status, veteran status, sexual orientation, gender identity or expression, genetic information, marital status, citizenship status, or any other basis as protected by federal, state, or local law.
PREP0004008 or PREP0003620

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