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Computational Chemist Jobs (NOW HIRING)

Redfish Recruiting

Computational Chemist

Chicago, IL · On-site +1

Computational Chemist / Cheminformatician: Help steer the development of our tool to make it maximally useful to industrial chemists and regulators. You'll work closely with our AI team and the ...

Eurofins

Computational Chemist

Saint Charles, MO · On-site +1

Represent Computational Chemistry as the subject matter expert for nonclinical research and development; * Independently pursue research projects, implement novel computational workflows and support ...

Pfizer

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

We are seeking a Senior Computational Chemist with a strong cheminformatics background and a proven track record of independent scientific delivery. The ideal candidate is expected to lead applied ...

Pfizer

Senior Computational Chemist

California, MO · On-site

$106 - $177/hr

We are seeking a Senior Computational Chemist with a strong cheminformatics background and a proven track record of independent scientific delivery. The ideal candidate is expected to lead applied ...

Pfizer, Inc.

Senior Computational Chemist

La Jolla, CA · On-site

$106K - $176K/yr

We are seeking a Senior Computational Chemist with a strong cheminformatics background and a proven track record of independent scientific delivery. The ideal candidate is expected to lead applied ...

1910

Computational Theoretical Chemist II

Boston, MA

Own computational chemistry programs across therapeutic modalities, disease targets, and indications * Ensure effective collaboration with the Biology and Medicinal Chemistry teams by providing key ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and indications * Ensure effective collaboration with the Biology and Medicinal Chemistry teams by providing key ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and indications * Ensure effective collaboration with the Biology and Medicinal Chemistry teams by providing key ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and indications * Ensure effective collaboration with the Biology and Medicinal Chemistry teams by providing key ...

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How much do computational chemist jobs pay per hour?

As of Aug 29, 2026, the average hourly pay for computational chemist in the United States is $30.99, according to ZipRecruiter salary data. Most workers in this role earn between $24.04 and $35.58 per hour, depending on experience, location, and employer.

What is a computational chemist?

Computational chemists are scientists who use computer simulations, mathematical models, and theoretical chemistry methods to study the structure, properties, and reactions of molecules. They apply various computational techniques to solve chemical problems that may be difficult or impossible to address through experiments alone. Computational chemists work in academia, industry, and government, often collaborating with experimental chemists to interpret results and design new materials or drugs.

What does a computational chemist do?

The duties of a computational chemist involve using computers to help perform experiments and research. In a career in computational chemistry, you use computer theory to make predictions about the results of theoretical analyses or to compute the structures of molecules and solids. Your responsibilities as a computational chemist can vary widely. Some chemists perform research that uses computers to make exact measurements and obtain specific results, while others use computational chemistry methods to expand the scope of their study or create theoretical hypotheses.

What are the key skills and qualifications needed to thrive as a computational chemist, and why are they important?

To thrive as a Computational Chemist, you need a strong background in chemistry, mathematics, and computer science, often supported by a graduate degree in chemistry or a related field. Expertise in molecular modeling software, programming languages (such as Python or C++), and familiarity with high-performance computing environments is typically required. Strong problem-solving abilities, attention to detail, and effective communication skills help you interpret data and collaborate with multidisciplinary teams. These skills are crucial for designing accurate simulations, advancing research, and driving innovation in chemical discovery.

How does a computational chemist typically collaborate with experimental chemists in a research setting?

Computational Chemists often work closely with experimental chemists to design and interpret experiments. They use computer models to predict molecular behavior, suggest potential compounds, and explain observed experimental results. Regular meetings and data exchanges are common, allowing both teams to refine hypotheses and accelerate the research process. This collaboration helps in validating computational predictions and optimizing experimental workflows, making teamwork and clear communication essential in this role.

What is the difference between Computational Chemist vs Chemist?

AspectComputational ChemistChemist
Required CredentialsBachelor's or Master's in Chemistry, Chemical Engineering, or related; often with programming skillsBachelor's or higher in Chemistry or related field; laboratory experience
Work EnvironmentResearch labs, offices, computer-based analysisLaboratories, manufacturing facilities, research institutions
Industry UsagePharmaceuticals, chemicals, materials science, academiaPharmaceuticals, manufacturing, quality control, academia
Common Search/ComparisonYesYes

The main difference between a Computational Chemist and a Chemist lies in their focus and work environment. Computational Chemists primarily use computer simulations and modeling to study chemical problems, often requiring programming skills. Chemists typically work in laboratories performing experiments and analysis. Both roles are vital in industries like pharmaceuticals and materials science, but their daily tasks and skill sets differ significantly.

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What states have the most Computational Chemist jobs?

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Computational Chemist jobs near you
Infographic showing various Computational Chemist job openings in the United States as of August 2026, with employment types broken down into 57% Full Time, 42% Part Time, and 1% Contract. Highlights an 52% Physical, 2% Hybrid, and 46% Remote job distribution, with an average salary of $64,466 per year, or $31 per hour.

Computational Chemist

Chicago, IL • On-site, Remote

Redfish Recruiting
See more jobs at Redfish Recruitingexternal

Full-time

Re-posted 13 days ago

Job description

Computational Chemist / Cheminformatician: Help steer the development of our tool to make it maximally useful to industrial chemists and regulators. You'll work closely with our AI team and the front-end developers to connect the dots and make our solutions more and more powerful. Down the line, you'll build out a team to use our tool to generate non-toxic replacements for known-toxic compounds.
Responsibilities:
- Provide expert feedback on chemical predictions and tool functionality
- Collaborate with AI team to improve model performance on chemical tasks
- Incorporate feedback from chemists, toxicologists, and regulators
- Identify new chemistry functions for our toolset
- Help us build and staff a computational chemistry lab for the development of safer materials
Skills:
- 5+ years experience in computational chemistry/cheminformatics
- Strong background in chemical R&D
- Proficiency in Python and chemistry software packages
- Familiarity with advances in generative chemistry
- Bonus: Experience with green chemistry, toxicology, chemical hazard assessment, and/or regulatory frameworks

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