Postdoctoral Fellow Computational Chemistry
- Pfizer Inc.
- Location: Pearl River, NY
- Job Number: 7141808 (Ref #: 4883074)
- Posting Date: Apr 24, 2023
- Salary / Pay Rate: $80000 +
- Application Deadline: Open Until Filled
Job Description
Why Patients Need You
Pfizer’s purpose is to deliver breakthroughs that change patients’ lives. Research and Development is at the heart of fulfilling Pfizer’s purpose as we work to translate advanced science and technologies into the therapies and vaccines that matter most. Whether you are in the discovery sciences, ensuring drug safety and efficacy or supporting clinical trials, you will apply cutting edge design and process development capabilities to accelerate and bring the best in class medicines to patients around the world.
ROLE SUMMARY
Pfizer Machine Learning Computational Sciences (MLCS) group is seeking a postdoc to conduct research aimed at developing state-of-the-art computational methods for small molecule crystal structure prediction. This is an exciting opportunity to perform fundamental research in a pharma setting on a topic that has important practical applications for small molecule pharmaceutical development. The successful applicant in this role will utilize First-principles approaches combined with machine learning and available small molecule crystal structure databases to develop methods that can rapidly and accurately predict crystal structures of small molecule APIs and intermediates. We are seeking a recent PhD with in-depth understanding of computational chemistry techniques as well as expertise in machine learning and scientific programming. The successful candidate will join a growing group of computational scientists and machine learning researchers who are passionate about developing novel computational methods and ML models to address challenging problems from early discovery to late-stage development and across established and emerging therapeutic modalities.
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
Pfizer’s purpose is to deliver breakthroughs that change patients’ lives. Research and Development is at the heart of fulfilling Pfizer’s purpose as we work to translate advanced science and technologies into the therapies and vaccines that matter most. Whether you are in the discovery sciences, ensuring drug safety and efficacy or supporting clinical trials, you will apply cutting edge design and process development capabilities to accelerate and bring the best in class medicines to patients around the world.
ROLE SUMMARY
Pfizer Machine Learning Computational Sciences (MLCS) group is seeking a postdoc to conduct research aimed at developing state-of-the-art computational methods for small molecule crystal structure prediction. This is an exciting opportunity to perform fundamental research in a pharma setting on a topic that has important practical applications for small molecule pharmaceutical development. The successful applicant in this role will utilize First-principles approaches combined with machine learning and available small molecule crystal structure databases to develop methods that can rapidly and accurately predict crystal structures of small molecule APIs and intermediates. We are seeking a recent PhD with in-depth understanding of computational chemistry techniques as well as expertise in machine learning and scientific programming. The successful candidate will join a growing group of computational scientists and machine learning researchers who are passionate about developing novel computational methods and ML models to address challenging problems from early discovery to late-stage development and across established and emerging therapeutic modalities.
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
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.
