1

Computational Chemist Jobs (NOW HIRING)

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 ...

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 ...

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

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

next page

Showing results 1-20

Computational Chemist information

See salary details

$17

$30

$52

How much do computational chemist jobs pay per hour?

As of Jul 17, 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.

What is the salary of a computational chemist?

The average salary of a computational chemist in the United States ranges from $70,000 to $120,000 per year, depending on experience, education, and location. Entry-level positions typically start around $60,000, while experienced professionals with advanced skills in modeling and simulation can earn over $130,000 annually.

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 advances research in chemistry and related fields.

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.

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.

Do I need a PhD to be a computational chemist?

A PhD is typically required for senior or research-focused computational chemist roles, especially in academia or industry research. Entry-level positions may accept candidates with a master's degree or relevant experience, but advanced roles usually demand a doctoral degree along with strong skills in programming, modeling, and data analysis.

Is computational chemistry a good career?

Computational chemists use computer simulations and modeling to study chemical problems, often working in research, pharmaceuticals, or materials science. The field offers strong job prospects, especially for those with programming skills and knowledge of chemistry, and typically requires a graduate degree such as a master's or Ph.D. to advance in research roles.

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.

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:
Infographic showing various Computational Chemist job openings in the United States as of July 2026, with employment types broken down into 94% Full Time, 2% Part Time, 1% Temporary, and 3% Contract. Highlights an 97% Physical, 1% Hybrid, and 2% Remote job distribution, with an average salary of $64,466 per year, or $31 per hour.
Senior Computational Chemist

Senior Computational Chemist

Pfizer, Inc.

La Jolla, CA • On-site

$106K - $176K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 24 days ago


Pfizer rating

8.3

Company rating: 8.3 out of 10

Based on 123 frontline employees who took The Breakroom Quiz

23rd of 74 rated pharmaceutical


Job description

Why Join MLCS in Medicine Design
Pfizer Medicine Design brings together medicinal chemistry, discovery sciences, and MLCS to invent medicines that deliver meaningful benefits to patients. MLCS plays a central role in enabling data centric and ML-driven discovery, with opportunities to make impact directly on drug discovery projects through clear communication of actionable insights.
Position Summary
The Machine Learning & Computational Sciences (MLCS) organization within Medicine Design at Pfizer partners broadly across R&D to deliver computational, cheminformatics, and machine learning (ML) capabilities that accelerate drug discovery and development. MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making, scalable cheminformatics platforms, and impactful scientific applications across the discovery pipeline.
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 computational and cheminformatics efforts across project teams, develop and shape technical approaches across multiple initiatives, and contribute durable, reusable capabilities that strengthen MLCS platform infrastructure and influence how computational chemistry and cheminformatics is best practiced across Medicine Design. With strong communication skills and adept at building productive partnerships, the successful candidate will thrive working in cross-functional teams with talented scientists across disciplines.
Key Responsibilities
Chemistry Data Enablement (Data Science / Data Engineering):
  • Lead the design, curation, and application of high-quality chemistry and pharmacology datasets used across multiple discovery programs.
  • Architect and deploy data pipelines and transformations that enable scalable, reproducible data analytics and modeling.
  • Set expectations for data quality and fitness-for-purpose in collaboration with scientific and platform stakeholders.

Applied ML and Cheminformatics:
  • Independently frame ambiguous medicinal chemistry problems into clear computational strategies and decision-support analyses.
  • Drive the application of ML and Cheminformatics models to high-impact drug discovery questions.
  • Critically assess model performance and limitations, guiding appropriate interpretation and use in project decisions.

Rapid Prototyping & Front-End Development:
  • Deliver robust, reusable, and well-documented scientific software aligned with modern best practices.
  • Lead rapid prototyping of chemistry and cheminformatics applications to validate workflows and user experience with end users.
  • Partner closely with chemists and software teams to evolve successful prototypes into production-ready solutions.

Cross-Functional Collaboration & Delivery:
  • Effectively bridge chemistry, data science, and software perspectives to align stakeholders around robust solutions.
  • Influence projects through technical insight, credibility, and data-driven recommendations.
  • Contribute to the scientific culture of MLCS through knowledge sharing, internal talks, and cross-team collaboration.

Required Qualifications
  • Ph.D. in Computational Chemistry, Cheminformatics, Computer Science, or related fields; or M.S. with substantial relevant industry experience.
  • Deep understanding of cheminformatics concepts, including molecular representations, similarity methods, QSAR, virtual screening, chemical spaces
  • Experience analyzing large, complex chemistry-related datasets.
  • Strong proficiency in Python and cheminformatics toolkits (RDKit or equivalent).
  • Experience with standard data science packages (numpy, pandas, etc)
  • Proven experience applying ML models in real-world discovery projects.
  • Practical experience with rapid application or UI prototyping in a scientific context.

Preferred Qualifications
  • Prior experience in pharmaceutical or biotech drug discovery environments.
  • Familiarity with deploying and scaling scientific workflows and applications.
  • Experience with database design and processing (SQL, RestAPI).
  • Experience in large-scale data handling and developing data pipelines.
  • Familiarity developing code in collaborative manner (GitHub, code review & sharing).
  • Familiarity working in HPC (e.g. SLURM) or cloud-based (AWS, GCP) environments.
  • Familiarity with efficient use of agentic coding environments (GitHub Copilot or equivalent)

Additional Information
Relocation support available
Work Location Assignment: Hybrid

The annual base salary for this position ranges from $106,000.00 to $176,600.00. In addition, this position is eligible for participation in Pfizer's Global Performance Plan with a bonus target of 15.0% of the base salary and eligibility to participate in our share based long term incentive program. We offer comprehensive and generous benefits and programs to help our colleagues lead healthy lives and to support each of life's moments. Benefits offered include a 401(k) plan with Pfizer Matching Contributions and an additional Pfizer Retirement Savings Contribution, paid vacation, holiday and personal days, paid caregiver/parental and medical leave, and health benefits to include medical, prescription drug, dental and vision coverage. Learn more at Pfizer Candidate Site - U.S. Benefits | (uscandidates.mypfizerbenefits.com). Pfizer compensation structures and benefit packages are aligned based on the location of hire. The United States salary range provided does not apply to Tampa, FL or any location outside of the United States.
Relocation assistance may be available based on business needs and/or eligibility.
Candidates must be authorized to be employed in the U.S. by any employer.
U.S. work visa sponsorship (such as TN, O-1, H-1B, etc.) is not available for this role now or in the future.
Sunshine Act
Pfizer reports payments and other transfers of value to health care providers as required by federal and state transparency laws and implementing regulations. These laws and regulations require Pfizer to provide government agencies with information such as a health care provider's name, address and the type of payments or other value received, generally for public disclosure. Subject to further legal review and statutory or regulatory clarification, which Pfizer intends to pursue, reimbursement of recruiting expenses for licensed physicians may constitute a reportable transfer of value under the federal transparency law commonly known as the Sunshine Act. Therefore, if you are a licensed physician who incurs recruiting expenses as a result of interviewing with Pfizer that we pay or reimburse, your name, address and the amount of payments made currently will be reported to the government. If you have questions regarding this matter, please do not hesitate to contact your Talent Acquisition representative.
EEO & Employment Eligibility
Pfizer is committed to equal opportunity in the terms and conditions of employment for all employees and job applicants without regard to race, color, religion, sex, sexual orientation, age, gender identity or gender expression, national origin, disability or veteran status. Pfizer also complies with all applicable national, state and local laws governing nondiscrimination in employment as well as work authorization and employment eligibility verification requirements of the Immigration and Nationality Act and IRCA. Pfizer is an E-Verify employer. This position requires permanent work authorization in the United States.
Pfizer endeavors to make www.pfizer.com/careers accessible to all users. If you would like to contact us regarding the accessibility of our website or need assistance completing the application process and/or interviewing, please email disabilityrecruitment@pfizer.com. This is to be used solely for accommodation requests with respect to the accessibility of our website, online application process and/or interviewing. Requests for any other reason will not be returned.
To learn more about acceptable and prohibited uses of AI during the recruitment process, please review our candidate AI-use guidelines available on Pfizer Careers.
Information & Business Tech

What Pfizer employees say

Pay

Benefits

Hours and flexibility

Workplace

Get the full story on Breakroom


Pfizer logo

About Pfizer

Sourced by ZipRecruiter

All over the world, Pfizer colleagues work together to positively impact health for everyone, everywhere. Our colleagues have the opportunity to grow and develop a career that offers both individual and company success; be part of an ownership culture that values diversity and where all colleagues are energized and engaged; and the ability to impact the health and lives of millions of people. Pfizer, a global leader in the biopharmaceutical industry, is continuously seeking top talent who are inspired by our purpose to innovate to bring therapies to patients that significantly improve their lives. Our Health and Science System Specialists Team provides leadership across patient care settings in the complex Hospital, Health System, and Key Medical Group environment to bring value to our customers and patients in this dynamic ecosystem.

Industry

Pharmaceutical and medicine manufacturing

Company size

10,000+ Employees

Headquarters location

New York, NY, US

Year founded

1849