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Computational Materials Science Leader
Pfizer in Groton, Connecticut
Date Posted 01/10/2022
Employment Type Fulltime
Application Deadline Open until filled

Computational Materials Science Leader

The Drug Product Design department is a global R&D organization that develops new medicines for unmet medical needs. Digital design is a key part of the science and technology strategy for the department. We are actively seeking to hire creative scientists and engineers with computational chemistry expertise. The Computational Materials Science Leader will apply state-of-the-art computational chemistry and crystallographic tools to calculate the solid-state 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 ultimate 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.


  • Paint a compelling vision for the future direction of computational modelling as an enabler of drug product development
  • Provide leadership to a community of computational chemists and materials scientists to help deliver Pfizer’s new product portfolio
  • Apply established computational approaches to portfolio to drive decision making and experimental design
  • Train and mentor colleagues in computational techniques
  • Collaborate with both subject matter experts (SMEs) and non-SMEs to drive the adoption of computational tools and approaches
  • Bringing external scientific and computational advances to bear on day-to-day problem solving

Basic Qualifications

  • Candidate is likely to have a PhD in Chemistry, Physics, Materials Science or Engineering, or a closely related discipline with 5-10 years of post graduate experience, or a Master’s degree in these disciplines with 10-15 years of relevant experience in industry or academia.

  • Advanced programing and scripting skills (such as Python, R, Jupyter Notebook, GitHub, etc)
  • Strong coding skills in a scientific programming language (such as C/C++, Python, Perl) with demonstrated evidence of coding expertise and data analysis.
  • Candidate demonstrates a breadth of diverse leadership experiences and capabilities including: the ability to influence and collaborate with peers, develop and coach others, oversee and guide the work of other colleagues to achieve meaningful outcomes and create business impact.

Preferred Qualifications

  • In-depth understanding of physical organic chemistry and crystallography
  • Familiarity with Crystal Structure Prediction (CSP) and solid-state informatics approaches
  • A proven track-record of developing and applying computational chemistry to accelerate the development of new medicines
  • A strong foundation in data science (including automated data capture, database design and data analytics)
  • Knowledge of advanced statistical methods
  • Experience of working in a high-performance computing (HPC) environment
  • In-depth understanding of allied experimental techniques (such as solid form screening, crystallization, etc.) and how they can support the development and application of computational material science techniques
  • Desire to provide leadership to a small team of computational SMEs and to help set the strategic direction of computational activities for drug product design
  • Proven ability to engage with colleagues with varying levels of computational expertise
  • Competency in UNIX/Linux and HPC environments for submission and monitoring of jobs.
  • Experience with computational chemistry software (e.g. Gaussian, Gromacs, VASP, Quantum Espresso) with cheminformatics toolkits experience a plus (e.g. RDKit, OpenEye and CCDC API).
  • Knowledgeable with fundamental physical chemistry concepts (e.g. thermodynamics, kinetics, solvation, group theory) with solid-state knowledge a plus (e.g. crystallography, nucleation and crystal growth), either through coursework or experience.
  • Strong analytical and mathematical skills (linear algebra, statistics, differential calculus).

Other Job Details:

  • Additional Location Information: Virtual, Regional or other specific location parameters noted in posting request (IF NEEDED)
  • Eligible for Relocation Package: YES
  • Eligible for Employee Referral Bonus:


Pfizer requires all U.S. new hires to be fully vaccinated for COVID-19 prior to the first date of employment. As required by applicable law, Pfizer will consider requests for Reasonable Accommodations.

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.

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