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Computational Materials Scientist

Woburn, MA · On-site +1

$180K - $200K/yr

This powerful combination of "AI for science" and material engineering enables batteries that can ... As a Computational Materials Scientist, you will be a core data-driven modeler responsible for ...

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site +1

$90K - $140K/yr

Overview We look for computational materials scientists excited about bridging the gap between ... science to help us develop a software framework for designing and discovering new advanced ...

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Intern Computational Materials Science information

What is the difference between Intern Computational Materials Science vs Intern Materials Engineering?

AspectIntern Computational Materials ScienceIntern Materials Engineering
Required CredentialsUndergraduate or graduate in materials science, physics, or related fields; basic programming skillsUndergraduate or graduate in materials engineering, mechanical engineering, or related fields; foundational technical knowledge
Work EnvironmentResearch labs, computational modeling, data analysisDesign, testing, and development in labs or manufacturing settings
Industry UsageResearch institutions, tech companies, aerospace, academiaManufacturing firms, product development, construction

Intern Computational Materials Science focuses on computational modeling and simulations of materials properties, while Intern Materials Engineering emphasizes practical design, testing, and application of materials. Both roles require a background in materials-related fields but differ in their core activities and work environments.

What does an Intern in Computational Materials Science do?

An Intern in Computational Materials Science assists in research and development by applying computational techniques to study and predict the properties and behaviors of materials. Typical tasks include running simulations, analyzing data, and working with software tools to model materials at the atomic or molecular level. Interns may collaborate with researchers to design experiments, interpret results, and contribute to scientific publications or reports. This role provides hands-on experience in both computational methods and materials science, helping to bridge theory and practical application.

What are the key skills and qualifications needed to thrive as an Intern in Computational Materials Science, and why are they important?

To thrive as an Intern in Computational Materials Science, you need a solid background in materials science, physics, or engineering, along with coursework in computational modeling and data analysis. Familiarity with programming languages like Python or MATLAB, experience with simulation software (such as VASP or LAMMPS), and knowledge of high-performance computing are typically required. Strong analytical thinking, attention to detail, and effective teamwork are important soft skills for success in collaborative research environments. These skills enable interns to contribute meaningfully to research projects, analyze complex materials data, and communicate findings clearly within multidisciplinary teams.

What types of projects can an Intern in Computational Materials Science expect to work on during their internship?

As an Intern in Computational Materials Science, you can expect to engage in projects involving simulations of material properties, data analysis from computational experiments, and the development of models to predict material behavior. You may collaborate with researchers and senior scientists to support ongoing investigations or help optimize simulation workflows. These projects often require proficiency in programming languages such as Python or MATLAB and may involve the use of specialized software like VASP or LAMMPS. The experience provides a hands-on understanding of how computational methods contribute to advancing materials research and often includes opportunities to present your findings to the team.
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Infographic showing various Intern Computational Materials Science job openings in the United States as of July 2026, with employment types broken down into 68% Full Time, 31% Part Time, and 1% Contract. Highlights an 65% Physical, 2% Hybrid, and 33% Remote job distribution.
Senior Scientist - Computational Materials Science

Senior Scientist - Computational Materials Science

Pfizer

Groton, CT

$93K - $156K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted yesterday

Pfizer rating

8.3

Company rating: 8.3 out of 10

Based on 124 frontline employees who took The Breakroom Quiz

20th of 74 rated pharmaceutical

Job description

Use Your Power for Purpose


Pfizer's purpose is to deliver breakthroughs that change patients' lives, and at the heart of this mission is our Research and Development team. We are dedicated to translating advanced science and innovative technologies into the therapies and vaccines that matter most. Whether you are involved in discovery sciences, ensuring drug safety and efficacy, or supporting clinical trials, you will leverage cutting-edge design and process development capabilities. Our goal is to accelerate the delivery of best-in-class medicines to patients around the globe, making a significant impact on global health.


The Computational Materials Science Scientist will apply state-of-the-art computational chemistry and crystallographic tools to predict the solid-state and particle properties of Pfizer molecules to streamline experimental efforts and to design better medicines. This will enable Pfizer project teams to de-risk their programs and to move rapidly into clinical studies with the goal of commercialization. The role is highly collaborative, requiring extensive work on multi-disciplinary project teams. With this role there is also a significant opportunity to publish peer reviewed research and to develop novel computational methods, addressing gaps in our current knowledge and capabilities.


Responsibilities

Apply state-of-the-art physics based computational approaches to predict the properties and performance across range of molecules (R05 and bR05)

Conduct crystal structure prediction (CSP) calculations and free energy calculations for polymorph stability ranking

Utilize various physics/informatics (i.e. molecular simulations, density functional theory, H-bonding propensity analysis, full Interaction map) based computational tools for design and derisking of commercial solid form Develop and apply physics/ML-AI based computational tools to investigate and understand the particle properties, surface and performance

Participate on multidisciplinary project teams and collaborate with colleagues to define and recommend follow up screening and characterization strategies to complement computational studies according to project timelines.

Oversee the work of external partners conducting computational analyses and provide tactical guidance and critical analysis of their work

Solve scientific problems using contemporary solid state computational techniques.

Lead the development of new scientific approaches and knowledge within the Material Sciences organization. This is an individual contributor role.


Basic Qualifications

Candidate to have a PhD in Computational Chemistry, Physics, Materials Science or Engineering, or a closely-related discipline; OR a Master's degree in these disciplines with 5-10 years of relevant experience in industry or academia. This is an individual contributor role.

Strong coding skills in a scientific programming language (such as C/C++, Python, Perl) with demonstrated evidence of coding expertise and data analysis.

Competency in UNIX/Linux and HPC environments for submission and monitoring of jobs.


Preferred Qualifications


Experience with computational chemistry software (GROMACS, Gaussian, GAMESS-US, cp2k, quantum espresso and VASP) and the CCDC tools preferred.

Knowledgeable of fundamental physical chemistry and materials science concepts such as thermodynamics, solvation, crystallography, symmetry, nucleation and crystal growth - either through coursework or experience.

Strong analytical and mathematical skills (geometry, algebra, statistics, differential calculus).


  Relocation support available
Work Location Assignment: On Premise
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

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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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