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Computational Chemistry Internship Jobs (NOW HIRING)

1910

Computational Theoretical Chemist I

Boston, MA

Relevant industry experience via internship and co-op * Publication records in computational chemistry related to drug discovery #LI-Onsite Diversity and Inclusion (1910's Promise) At 1910, we ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Relevant industry experience via internship and co-op * Publication records in computational chemistry related to drug discovery #LI-Onsite Diversity and Inclusion (1910's Promise) At 1910, we ...

IonQ

Staff Scientist - Quantum Applications

$167K - $219K/yr

... such as computational chemistry, optimization, and machine learning * Work with customers and ... to mentor interns and provide technical guidance to junior team members * Experience with ...

Vistera Inc

Scientist / Sr. Scientist, Research

Waltham, MA

$107K - $136K/yr

... chemistry selection, and hit identification * Develop, optimize, and characterize antibody ... Close collaboration with computational biologists to inform oligonucleotide design and interpret ...

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Computational Chemistry Internship information

What is a Computational Chemistry Internship job?

A Computational Chemistry Internship is a temporary position where students or early-career researchers use computer simulations and theoretical models to study chemical systems. Interns may work with molecular dynamics, quantum mechanics, or machine learning techniques to analyze chemical properties and reactions. These internships are typically in academic institutions, pharmaceutical companies, or material science industries, providing hands-on experience with computational tools and software.

What are the key skills and qualifications needed to thrive in the Computational Chemistry Internship position, and why are they important?

To thrive as a Computational Chemistry Intern, you need a solid background in chemistry, physics, and mathematics, often with coursework or research experience in computational methods. Familiarity with molecular modeling software (such as Gaussian, AMBER, or Schrodinger), programming languages (like Python or C++), and basic data analysis tools is highly valued. Strong problem-solving abilities, attention to detail, and effective communication skills help interns collaborate well with scientific teams. These competencies are crucial for accurately performing simulations, interpreting results, and contributing to research projects in a dynamic, interdisciplinary environment.

What are some typical projects or responsibilities assigned to interns in a computational chemistry internship?

Computational Chemistry Interns often work on projects involving molecular simulations, quantum chemical calculations, or data analysis to support drug discovery or material science research. Daily responsibilities may include preparing computational models, running simulations, analyzing data, and presenting findings to senior scientists. Interns frequently collaborate with other chemists, biologists, and computational scientists, gaining exposure to interdisciplinary teamwork. This hands-on experience allows interns to apply classroom knowledge in real-world scenarios and build valuable skills for future career opportunities in research or industry settings.

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Computational Chemistry Internship jobs near you
Infographic showing various Computational Chemistry Internship job openings in the United States as of July 2026, with employment types broken down into 1% As Needed, 78% Full Time, 18% Part Time, 1% Temporary, and 2% Contract. Highlights an 85% Physical, 1% Hybrid, and 14% Remote job distribution.
Senior Scientist, Computational Chemistry

Senior Scientist, Computational Chemistry

Pfizer

Cambridge, MA

$93K - $156K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 11 days ago

Pfizer rating

8.3

Company rating: 8.3 out of 10

Based on 124 frontline employees who took The Breakroom Quiz

24th of 86 rated pharmaceutical

Job description

WHY PATIENTS NEED YOU

Pfizer's purpose is to deliver breakthroughs that change patients' lives. Research and Development is at the heart of fulfilling that purpose-translating science and technology into therapies and vaccines that matter most. Whether in discovery, development, or clinical research, you will be a key contributor to our mission of bringing bestinclass medicines to patients worldwide.

WHAT YOU WILL ACHIEVE

You will be a computational chemist working as a collaborative member of Medicinal Chemistry and multidisciplinary drug discovery teams.

In this role, you will apply established computational chemistry methods to support molecular design, data interpretation, and hypothesis generation under the guidance of experienced scientists.

The position is intended for a developing scientist with strong scientific fundamentals, interest in drug discovery, and practical experience with molecular modeling, data analysis, and scripting.

HOW YOU WILL ACHIEVE IT

  • As a member of project teams, you will use computational approaches to help prioritize molecules, interpret structure-activity relationships, and support design ideas.
  • You will apply commonly used methods such as molecular visualization, docking, conformational analysis, structure-based design, ligand-based analysis, and basic cheminformatics workflows.
  • You will contribute to project discussions, communicate results clearly, and work with senior computational chemists and experimental colleagues to refine analyses and identify the next practical steps for drug discovery projects.

QUALIFICATIONS

Education and Experience

  • Ph.D. in computational chemistry, chemistry, biophysics, computational biology, or a related discipline; or M.S. with relevant research experience.
  • 0-2 years of postdoctoral, academic, or industry experience in computational chemistry or a related field.
  • Experience contributing to research projects through graduate work, postdoctoral training, internships, co-ops, or collaborative project experience is acceptable.

Technical Skills Requirements

  • Working knowledge of one or more computational chemistry areas, such as molecular docking, structure-based design, ligand-based design, molecular visualization, conformational analysis, or cheminformatics.
  • Strong understanding of physical chemistry, protein-ligand interactions, and structure-activity relationships.
  • Familiarity with common molecular modeling software and willingness to learn additional tools and workflows.
  • Proficient scripting or data analysis skills, preferably in Python; experience with Linux or high-performance computing environments is a plus but not required.
  • Ability to analyze results carefully, document work clearly, and communicate scientific findings to project team members.
  • Experience using common AI tools, including generative technologies such as ChatGPT or Microsoft Copilot, to support problem solving and enhance productivity. Demonstrated curiosity for exploring how these tools can improve outcomes and understanding of responsible AI practices, includingrisk management and ethical use


Additional Information:

  • Relocation support available
  • Work Location Assignment:On Premise
  • Last Day to Apply: July 24, 2026
The annual base salary for this position ranges from $93,600.00 to $156,000.00. In addition, this position is eligible for participation in Pfizer's Global Performance Plan with a bonus target of 12.5% 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 makewww.pfizer.com/careersaccessible 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 emaildisabilityrecruitment@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 onPfizer Careers.

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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

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