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. Responsibilities
- 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.
- 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.
Other Job Details:
- 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).
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- Eligible for Relocation Package: YES
- Eligible for Employee Referral Bonus: YES
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Research and Development