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Computational Chemistry Jobs (NOW HIRING)

Eurofins

Computational Chemist

Saint Charles, MO · On-site +1

Given the expanding scope of the Drug Discovery Chemistry group's operations, the successful ... S/he will be a champion of promoting computational sciences as an integral part of Hit Finding ...

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How much do computational chemistry jobs pay per hour?

As of Jun 14, 2026, the average hourly pay for computational chemistry in the United States is $22.26, according to ZipRecruiter salary data. Most workers in this role earn between $18.27 and $24.52 per hour, depending on experience, location, and employer.

What is the difference between Computational Chemistry vs Chemist?

AspectComputational ChemistryChemist
Required CredentialsTypically requires a PhD in Chemistry, Chemical Engineering, or related fieldOften requires a Bachelor's or Master's degree in Chemistry or related discipline
Work EnvironmentPrimarily research labs, computer-based work, and simulationsLaboratories, industrial settings, or fieldwork
Industry UsageUsed in pharmaceuticals, materials science, and academia for modeling and simulationsInvolved in experimental research, product development, and quality control

Computational Chemists focus on computer-based modeling and simulations to understand chemical phenomena, while Chemists often perform hands-on experiments and laboratory work. Both roles are essential in advancing chemical research but differ mainly in their methods and work environments.

Is computational chemistry in demand?

Computational chemistry is in high demand across industries such as pharmaceuticals, materials science, and chemical research, as it enables faster and cost-effective drug discovery and product development. Professionals with skills in molecular modeling, quantum mechanics, and programming are sought after, especially those proficient with software like Gaussian or Schrödinger. The field offers opportunities in academia, industry, and government labs with a growing emphasis on interdisciplinary expertise.

Do computational chemists make good money?

Computational chemists typically earn competitive salaries that vary based on experience, education, and location. Entry-level positions often start around $60,000 to $80,000 annually, with experienced professionals earning over $100,000, especially in research or industry roles requiring advanced skills in modeling software and programming. Salaries tend to be higher in pharmaceutical, biotech, and chemical industries.

What can you do with a PhD in computational chemistry?

A PhD in computational chemistry prepares individuals for research and development roles in academia, industry, or government labs, focusing on molecular modeling, drug design, materials science, and chemical simulations. Graduates often work as research scientists, computational chemists, or data analysts, utilizing programming skills and specialized software like Gaussian or VMD. Advanced positions may require collaboration across interdisciplinary teams and publication of scientific findings.

What are some common challenges faced by computational chemists when collaborating with experimental teams?

Computational chemists often work closely with experimental chemists to design and interpret experiments, but one common challenge is ensuring clear communication about the limitations and accuracy of computational models. Translating complex simulation data into actionable insights for experimental teams can require extra effort, especially when addressing differences in terminology or expectations about timelines and results. Successful collaboration typically involves regular meetings, shared documentation, and a willingness to iterate on both computational predictions and experimental approaches.

Do I need a PhD to be a computational chemist?

A PhD is typically required for advanced roles in computational chemistry, especially those involving independent research or leadership. However, entry-level positions may be available to candidates with a master's degree or relevant experience in programming, chemistry, or related tools. Advanced knowledge of computational methods and software is essential regardless of educational level.

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 solid background in chemistry, physics, and mathematics, typically supported by an advanced degree (MSc or PhD) in chemistry or a related field. Proficiency in quantum chemistry software (such as Gaussian or VASP), programming languages (like Python or Fortran), and experience with high-performance computing systems are essential. Strong problem-solving skills, analytical thinking, and effective communication help you collaborate with interdisciplinary teams and convey complex findings. These skills and qualities are crucial for designing accurate simulations, interpreting data, and contributing valuable insights to research and development projects.

What is computational chemistry?

Computational chemistry is a branch of chemistry that uses computer simulation and mathematical models to study the structures, properties, and reactions of molecules. It allows scientists to predict the behavior of chemical systems by solving quantum mechanical and classical equations. This field plays a critical role in drug discovery, materials science, and understanding complex molecular interactions, often saving time and resources compared to experimental methods. Computational chemists use specialized software and high-performance computing to carry out their analyses and simulations.

What Is Computational Chemistry?

Computational chemistry is a subdiscipline of chemistry, and it involves using computer simulation methods to analyze chemical compounds, molecules, and other problems in chemistry. Computational chemistry is necessary for solving complex problems in chemistry that do not have analytical solutions and require the use of powerful computing. Computational chemistry has many applications, and it is very common in pharmaceutical production and research where physicists, chemists, and other clinical researchers need to predict the properties of particular chemical reactions.

More about Computational Chemistry jobs
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Computational Chemistry jobs near you
Infographic showing various Computational Chemistry job openings in the United States as of June 2026, with employment types broken down into 88% Full Time, and 12% Part Time. Highlights an 83% Physical, 1% Hybrid, and 16% Remote job distribution, with an average salary of $46,292 per year, or $22.3 per hour.
Computational Chemist

Computational Chemist

Eurofins

Saint Charles, MO • On-site, Remote

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 9 days ago

Eurofins rating

7.5

Company rating: 7.5 out of 10

Based on 175 frontline employees who took The Breakroom Quiz

56th of 103 rated laboratories

Job description

Company Description
Eurofins Scientific is an international life sciences company, providing a unique range of analytical testing services to clients across multiple industries, to make life and our environment safer, healthier and more sustainable. From the food you eat, to the water you drink, to the medicines you rely on, Eurofins works with the biggest companies in the world to ensure the products they supply are safe, their ingredients are authentic and labelling is accurate.Eurofins believes it is a global leader in food, environmental, pharmaceutical and cosmetics products testing and in agroscience CRO services. It is also one of the global independent market leaders in certain testing and laboratory services for genomics, discovery pharmacology, forensics, CDMO, advanced material sciences and in the support of clinical studies.
In over just 30 years, Eurofins has grown from one laboratory in Nantes, France to over 50,000 staff across a network of more than 900 independent companies in over 50 countries and operating more than 800 laboratories. Eurofins offers a portfolio of over 200,000 analytical methods to evaluate the safety, identity, composition, authenticity, origin, traceability and purity of biological substances and products, as well as providing innovative clinical diagnostic testing services, as one of the leading global emerging players in specialized clinical diagnostics testing.
In 2021, Eurofins generated total revenues of EUR € 6.7 billion, and has been among the best performing stocks in Europe over the past 20 years.
Job Description
Eurofins Discovery is very motivated to apply computational sciences, data visualization, bioinformatics and other data-driven approaches to all steps of the drug development process at every level of the organization. Given the expanding scope of the Drug Discovery Chemistry group's operations, the successful candidate will have the opportunity to continue to build on the existing team to achieve this goal. S/he will be a champion of promoting computational sciences as an integral part of Hit Finding campaigns, modern ML/AI supported drug discovery and Eurofins flagship Integrated Drug Discovery Programs under DiscoveryOne. Work closely with DiscoveryAI business to support/lead Eurofins Discovery wider AI based initiatives.
This individual will be responsible for technical consultation with our chemistry and biology experts and scientists, overseeing and leading scientific data governance, analytical tool development, computational chemistry methods development, and meta-analyses of internal and external data from multiple technologies.
Essential Duties and Responsibilities:
  • Represent Computational Chemistry as the subject matter expert for nonclinical research and development;
  • Independently pursue research projects, implement novel computational workflows and support a dynamic multi-disciplinary team focused on moving projects from the hit identification stage to the discovery of clinical candidate;
  • Contribute to the development, implementation and utilization of state-of-the-art computational software, computer aided drug design and simulation techniques to help drive in silico drug discovery activities;
  • Responsible for the analysis, interpretation, integration and reporting of research informatics data generated with internal teams and external clients;
  • Partner with and support medicinal chemistry team during lead optimization related activities such as docking and scoring of the molecules from rational drug design
  • Apply or develop new tools or data-mining techniques for integrative analysis and visualization of large data sets;
  • Participate in data governance objectives working closely with IT and the laboratory teams;
  • Provide transparency and regular communication on project status, potential roadblocks for execution, and new strategies with Drug Discovery Chemistry leadership;
  • Owns the accountability and responsibility of delivering to client needs and timeliness;
  • Provides cross-functional support to other departments as required;

Qualifications
  • Proven track record of impact in drug discovery projects (e.g., contribution to lead identification/optimization, progression of compounds into development)
  • Strong understanding of medicinal chemistry principles and the ability to translate computational insights into actionable design hypotheses
  • Experience with ligand-based design approaches (e.g., QSAR, similarity searching, conformational analysis)
  • Knowledge of free energy methods (e.g., FEP, MM-GBSA) and their practical application/limitations
  • Experience handling and curating large chemical and biological datasets (data quality, standardization, reproducibility)
  • Familiarity with modern AI/ML approaches in drug discovery (e.g., deep learning, generative models) and their appropriate use cases
  • Ability to design, validate, and benchmark computational workflows rather than only applying existing protocols
  • Strong statistical thinking and understanding of uncertainty, validation strategies, and model performance metrics
  • Experience working in cross-functional teams (medicinal chemistry, biology, DMPK) and communicating results to non-experts
  • Good software engineering practices (version control, reproducible pipelines, documentation)
  • Exposure to ADMET prediction tools and integration into design cycles
  • Ability to critically assess experimental data (SAR, assay variability) and integrate it into modeling efforts Leadership or mentoring experience Strategic thinking in selecting and deploying computational, AI & ML approaches aligned with project goals
  • Proven ability to successfully influence cross-functionally and to be sought after as a technical expert within the computational sciences applied to drug development domain
  • Travels to other Eurofins facilities is required

Additional Information
The position is full-time, Monday-Friday, 8 a.m.- 5 p.m., with overtime as needed.
  • Excellent full time benefits including comprehensive medical coverage, dental, and vision options
  • Life and disability insurance
  • 401(k) with company match
  • Paid vacation and holidays

Eurofins USA Discovery Services is a Disabled and Veteran Equal Employment Opportunity employer.

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About Eurofins

Sourced by ZipRecruiter

Industry

Scientific research and development services, biotechnology research and development and environmental consulting services

Company size

10,000+ Employees

Headquarters location

Leacock, PA, US

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