Associate Scientist, Post Doctoral Fellow- Computational Reaction Modeling - Machine Learning

Job Description

Postdoctoral Research Fellow - Modeling & Informatics -

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Be a part of the legacy: Postdoctoral Research Fellow Program -

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Our Research Laboratories' Postdoctoral Research Fellow Program aims to be a best-in-industry program for industrial postdoctoral researchers, designed to provide you with an academic focus in a commercial environment. With the resources, reach, and expertise of a large pharmaceutical company, postdoctoral researchers will be positioned to excel in an institution committed to breakthrough innovation in research and discovery.-

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Position Overview: -

We are seeking a Postdoctoral Research Fellow with expertise in computational molecular modeling to join the Modeling and Informatics (M&I) group in Rahway, New Jersey, USA. The successful candidate will work closely with computational and experimental experts to develop novel, robust, and practical computational workflows for predicting reactivity, selectivity, and catalyst performance in organic reactions of importance in the pharmaceutical industry. Leveraging both classical techniques in physical organic chemistry, including reaction modeling, and cutting-edge machine learning-based methods, the Postdoctoral Fellow will collaborate with colleagues across Discovery and Process Chemistry to elucidate, influence, and design experiments related to reaction discovery and catalyst design.-

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Responsibilities include but are not limited to: -

• Conduct research focused on the benchmarking and fine-tuning of machine learning-based interatomic potentials, both independently and in collaboration with an interdisciplinary team of molecular modelers and experimental scientists across Discovery Chemistry and Process Chemistry-
• Couple molecular modeling and cheminformatics tools to develop novel workflows for reaction modeling at a scale relevant for drug discovery and process development-
• Independently plan, execute and clearly communicate key aspects of a research program-
• Attend and participate in meetings across departments, presenting project progress to various teams-
• Author scientific publications and present at conferences-

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Education Minimum Requirement:• -

• Ph.D. completed within 6 months of hire in Computational Chemistry / Machine Learning / Chemical Engineering, or a closely related field-

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Required Experience and Skills: •-

• Strong academic background in machine learning, computer science, cheminformatics, physical chemistry, organic chemistry, or applied mathematics-
• Demonstrated experience applying machine learning to chemical problems-
• Strong programming skills with Python, including PyTorch and TensorFlow-
• Experience with classical organic reaction modeling including, but not limited to, quantum chemical calculations and conformational searches-
• Experience with developing machine learning-based atomistic potentials-
• Ability to independently drive and deliver results, while balancing multiple priorities simultaneously-
• Proven ability to communicate technical findings clearly in writing and presentations to a cross-functional audience including synthetic chemists, data scientists, and IT teams-

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Preferred Experience and Skills :-

• Expertise in reaction modeling and ligand design for catalysts-
• Experience with cheminformatics techniques, such as molecular property predictions, molecular featurization ( e.g., RDKit)-
• Experience applying machine learning to large chemical datasets for predictive purposes-

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postdoctoralopportunities

Under New York City, Colorado State, Washington State, and California State law, the Company is required to provide a reasonable estimate of the salary range for this job. Final determinations with respect to salary will take into account a number of factors, which may include, but not be limited to the primary work location and the chosen candidate's relevant skills, experience, and education.

Expected salary range:

$75,000.00-$86,000.00

Available benefits include bonus eligibility, health care and other insurance benefits (for employee and family), retirement benefits, paid holidays, vacation, and sick days. For Washington State Jobs, a summary of benefits is listed here.-

Required Skills:
Analytical Chemistry, Benchmarking Studies, Cell Culture Techniques, Chemical Biology, Chemical Engineering, Chemical Technology, Computational Biology, Computer Science, Data Analysis, Informatics, Mathematical Biology, Molecular Biology, Molecular Modeling, Organic Chemistry, Process Chemistry, Programming Languages, Scientific Research, Scientific Writing, Statistical Analysis

Preferred Skills:

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US and Puerto Rico Residents Only:

Our company is committed to inclusion, ensuring that candidates can engage in a hiring process that exhibits their true capabilities. Please click here if you need an accommodation during the application or hiring process.

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics.--As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities.- For more information about personal rights under the U.S. Equal Opportunity Employment laws, visit:

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EEOC GINA Supplement•

We are proud to be a company that embraces the value of bringing together, talented, and committed people with diverse experiences, perspectives, skills and backgrounds. The fastest way to breakthrough innovation is when people with diverse ideas, broad experiences, backgrounds, and skills come together in an inclusive environment. We encourage our colleagues to respectfully challenge one another's thinking and approach problems collectively.

Learn more about your rights, including under California, Colorado and other US State Acts

U.S. Hybrid Work Model

Effective September 5, 2023, employees in office-based positions in the U.S. will be working a Hybrid work consisting of three total days on-site per week, Monday - Thursday, although the specific days may vary by site or organization, with Friday designated as a remote-working day, unless business critical tasks require an on-site presence.This Hybrid work model does not apply to, and daily in-person attendance is required for, field-based positions; facility-based, manufacturing-based, or research-based positions where the work to be performed is located at a Company site; positions covered by a collective-bargaining agreement (unless the agreement provides for hybrid work); or any other position for which the Company has determined the job requirements cannot be reasonably met working remotely. Please note, this Hybrid work model guidance also does not apply to roles that have been designated as "remote".

San Francisco Residents Only: -We will consider qualified applicants with arrest and conviction records for employment in compliance with the San Francisco Fair Chance Ordinance

Los Angeles Residents Only: -We will consider for employment all qualified applicants, including those with criminal histories, in a manner consistent with the requirements of applicable state and local laws, including the City of Los Angeles' Fair Chance Initiative for Hiring Ordinance

Search Firm Representatives Please Read Carefully-
Merck & Co., Inc., Rahway, NJ, USA, also known as Merck Sharp & Dohme LLC, Rahway, NJ, USA, does not accept unsolicited assistance from search firms for employment opportunities. All CVs / resumes submitted by search firms to any employee at our company without a valid written search agreement in place for this position will be deemed the sole property of our company. -No fee will be paid in the event a candidate is hired by our company as a result of an agency referral where no pre-existing agreement is in place. Where agency agreements are in place, introductions are position specific. Please, no phone calls or emails.-

Employee Status:
Regular

Relocation:
Domestic

VISA Sponsorship:
Yes

Travel Requirements:
10%

Flexible Work Arrangements:
Not Applicable

Shift:
Not Indicated

Valid Driving License:
No

Hazardous Material(s):
N/A

Job Posting End Date:
11/11/2025
*A job posting is effective until 11:59:59PM on the day BEFORE -the listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.

Requisition ID: R371611