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Computational Chemist Jobs (NOW HIRING)

Topos Bio

Computational Chemist

San Francisco, CA · On-site

We're seeking a Computational Chemist to help generate novel molecules for a variety of targets and collaborate closely with AI researchers and experimental scientists. What you will do * Develop ...

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 ...

1910

Computational Theoretical Chemist II

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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Computational Chemist information

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How much do computational chemist jobs pay per hour?

As of Jun 13, 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 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.

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.

How much money do computational chemists make?

Computational chemists typically earn a median annual salary of around $80,000 to $120,000, depending on experience, education, and location. Senior roles or those in industry and pharmaceuticals can pay higher, often exceeding $150,000 with advanced skills in modeling software and programming.

What does a computational chemist do?

A computational chemist uses computer simulations and modeling techniques to study chemical structures, reactions, and properties. They often work with specialized software and programming skills to predict molecular behavior, assist in drug discovery, and analyze experimental data. Their work supports experimental chemists and requires a strong understanding of chemistry and computer science.

What are computational chemists?

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.

How much does a computational chemist make at Pfizer?

A computational chemist at Pfizer typically earns between $80,000 and $130,000 annually, depending on experience, education, and location. Salaries may also include bonuses and benefits, and the role often requires proficiency with molecular modeling tools and programming skills.

How much do computational chemists make in the US?

Computational chemists in the US typically earn between $70,000 and $130,000 annually, depending on experience, education, and location. Entry-level positions may start lower, while experienced professionals or those in senior roles can earn higher salaries, especially in pharmaceutical or biotech industries.

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.

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.

More about Computational Chemist jobs
What cities are hiring for Computational Chemist jobs? Cities with the most Computational Chemist job openings:
What states have the most Computational Chemist jobs? States with the most job openings for Computational Chemist jobs include:
What job categories do people searching Computational Chemist jobs look for? The top searched job categories for Computational Chemist jobs are:
Computational Chemist jobs near you
Infographic showing various Computational Chemist job openings in the United States as of June 2026, with employment types broken down into 69% Full Time, 30% Part Time, and 1% Contract. Highlights an 99% Physical, and 1% Remote job distribution, with an average salary of $64,466 per year, or $31 per hour.

Computational Chemist

Topos Bio

San Francisco, CA • On-site

Full-time

Posted 2 days ago

Job description

Topos Bio
At Topos Bio, we're pioneering drug discovery for intrinsically disordered proteins-targets that have eluded conventional approaches in neurodegeneration, oncology, and cardiometabolic disease.
We're seeking a Computational Chemist to help generate novel molecules for a variety of targets and collaborate closely with AI researchers and experimental scientists.
What you will do
  • Develop scalable workflows to generate and screen thousands of potential drug candidates
  • Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize protein-ligand binding and conformational dynamics
  • Engineer and optimize data pipelines that handle large-scale molecular simulations and structure-based predictions
  • Build and optimize cheminformatics pipelines for compound filtering, property prediction, fingerprint-based similarity search, and chemical space analysis
  • Collaborate with AI researchers to incorporate simulation data into model training and inference pipelines
  • Bridge scientific rigor with practical results, ensuring computational protocols are both accurate and efficient
  • Communicate technical nuances to cross-functional teams, fostering a shared understanding of capabilities and limitations
  • Stay up to date with the latest research and breakthroughs in computational chemistry, generative models, and molecular simulation
  • Lead external scientific presentations to pharmaceutical partners; Communicate the team's computational approaches for both technical audiences and business partners
What we are looking for
  • PhD in Computational Biophysics, Computational Chemistry, or a related field
  • Experience with molecular modeling, simulation, and generative drug design
  • Proficiency with common computational biophysics software (e.g. AMBER, GROMACS, OpenMM, PLUMED, Schrödinger, OpenEye)
  • Strong background in cheminformatics: molecular fingerprints, QSAR/QSPR, property prediction, scaffold analysis, cheminformatics libraries (e.g., RDKit, OpenBabel)
  • Expert coding in at least one language (Python preferred)
  • Familiarity with HPC cluster or cloud computing environments, containerization, and workflow orchestration
  • Strong communication skills, with the ability to present complex ideas in clear terms
Preferred
  • Experience integrating machine learning techniques for molecular generation
  • Background in quantum chemistry methods (DFT, ab initio) and its application to biomolecular systems
  • Exposure to early-stage drug discovery programs, from target identification to lead optimization

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