ROLE RESPONSIBILITIES
Conduct research with minimal supervision, with the aim of developing accurate and computationally efficient ML methods for small molecule crystal structure prediction.
Proactively engage key stakeholders at Pfizer for their input and feedback.
Identify opportunities for experimental validation and creative applications of the methods to portfolio projects.
Develop robust automated computational workflows, enabling methods to be run without significant manual input.
Publish research in high-impact journals.
Present at internal and external conferences.
QUALIFICATIONS
Basic Qualifications
Ph.D. in computational chemistry, physics, chemical engineering, computer science, or related discipline.
Strong track record of scientific excellence as evidenced by first-author publications in high-impact journals.
In-depth understanding of computational chemistry techniques, tools (e. g. electronic structure calculations and molecular mechanics), and common software packages.
Proficiency in Python; experience with scientific programming and algorithm design.
Experience with applying machine learning, in particular modern deep learning approaches, to solve relevant scientific problems.
Experience with Unix/Linux and HPC environments.
Excellent communication and interpersonal skills.
Preferred Qualifications
Strong background in Solid State Chemistry.
Experience with plane-wave DFT calculations and related QM packages such as VASP, Quantum Espresso etc.
Familiarity with Cambridge Crystal Structure Database and related CCDC tools for small molecule crystal structures analysis.
OTHER JOB DETAILS
Must Have Work Authorization in US
Eligible for Relocation Assistance
Work Location Assignment: On Premise