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Senior Scientist - Computational Materials Science

Groton, Connecticut
Closing date
Jan 21, 2022

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Science, Pharmaceutical, Supply Chain, Quality Assurance
Full Time
Organization Type
Jobseeker Type
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The computational senior scientist will utilize state-of-the-art computational chemistry and crystallographic tools to c alculate the solid-state properties of Pfizer molecules so that their properties and performance can be predicted. This will enable Pfizer project teams to de-risk their programs and move rapidly to clinical studies in patients and ultimately to commercialization. The role is highly collaborative and requires extensive work on multi-disciplinary project teams. There is also a significant role to be played in the development of new computational methods to address gaps in current knowledge / capabilities.

  • Apply state-of-the-art computational approaches to predict the properties and performance of crystalline and amorphous drug substance samples.
  • Use computational techniques (including matched molecular pair analysis, full interaction maps, solvation energy calculations and hydrogen bonding propensity analyses) to compare and rank new molecules against existing three-dimensional crystal structures (such as those in the Cambridge Crystallographic Database (CSD)).
  • Conduct Crystal Structure Prediction (CSP) calculations and free energy calculations for polymorph stability ranking.
  • Make recommendations for targeted crystallization experiments and/or modifications to the molecular structure to provide enhanced physical properties and stability of the material in the solid state.
  • 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.
  • Participate on multidisciplinary project teams, and collaborate with colleagues to define and recommend screening and characterization strategies according to project timelines.
  • Lead the development of new scientific approaches and knowledge within the global Material Sciences organization. This is an individual contributor role.

Basic Qualifications
  • Candidate s likely to have a PhD in 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 (Gaussian, qChem, 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).

Other Job Details:
  • Eligible for Relocation Package: YES
  • Eligible for Employee Referral Bonus: YES


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.

Research and Development
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