Senior Scientist, Computational Chemistry Job

Rahway, NJ, US
August 04 2017
Organization Type
Senior Scientist, Computational Chemistry-CHE005455


Merck & Co., Inc. Kenilworth, N.J., U.S.A. known as Merck in the United States and Canada, is a global health care leader with a diversified portfolio of prescription medicines, vaccines and animal health products. The difference between potential and achievement lies in the spark that fuels innovation and inventiveness; this is the space where Merck has codified its legacy for over a century. Merck’s success is backed by ethical integrity, forward momentum, and an inspiring mission to achieve new milestones in global healthcare.

Merck is on a quest for cures and is committed to being the world’s premier, most research-intensive biopharmaceutical company. Today, we’re doubling down on this goal. Merck Research Laboratories is a true scientific research facility of tomorrow, and will take Merck’s leading discovery capabilities and world-class small molecule and biologics R&D expertise to create breakthrough science that radically changes the way we approach serious diseases.

Merck is seeking a creative, self-motivated computational chemist with exceptional interpersonal and problem solving skills to join the Modeling and Informatics group in Rahway, NJ. The successful candidate will be primarily supporting programs in collaboration with Process Research and Development.

Key responsibilities:

- Application and creation of informatics and modeling tools applied to route design, reaction mechanism elucidation, catalyst design, and compound scale-up in process chemistry

- Contribute to the optimization of synthetic routes using advanced computational techniques including density functional theory and machine learning

- Collaborate with analytical chemistry on the characterization of chemical entities

- Advance research in molecular modeling to enhance the drug discovery and development processes



- Ph.D. (or expected by 2018) in chemistry, biochemistry, or equivalent with a computational emphasis


- PhD/Post Doc with no more than 5 years industry experience

- Evidence of creative application of computational approaches to problems in synthetic organic chemistry including mechanism elucidation and design

- Demonstrated ability to map reaction mechanisms including identification of transition states using density functional theory or the equivalent

- Strong communication skills

- Strong collaboration skills

- The ability to work well in multidisciplinary teams

- Strong publication record


- Expertise in the application of quantum mechanics/density functional theory (Gaussian, Jaguar, etc.) for reaction mechanism elucidation (including identification of transition states) of organic reactions and metal catalyzed reactions

- Prior experience in the pharmaceutical/biotechnology industry

- Experimental synthetic organic chemistry experience

- Proficiency with modern molecular modeling techniques (docking, molecular simulation, homology modeling, QSAR, ligand- and structure-based design) with modern software packages (Schrodinger, OpenEye, CCG) a plus

- Experience with scientific programming (Perl, Python, Pipeline Pilot) and data analytics (e.g., Spotfire)

- Excellent track record of publications, posters, and speaking engagements

Your role at Merck is integral to helping the world meet new breakthroughs that affect generations to come, and we’re counting on your skills and inventiveness to help make meaningful contributions to global medical advancement. At Merck, we’re inventing for life.

If you need an accommodation for the application process please email us at

Search Firm Representatives Please Read Carefully:

Merck & Co., Inc. is not accepting unsolicited assistance from search firms for this employment opportunity. Please, no phone calls or emails. All resumes submitted by search firms to any employee at Merck via email, the Internet or in any form and/or method without a valid written search agreement in place for this position will be deemed the sole property of Merck. No fee will be paid in the event the candidate is hired by Merck as a result of the referral or through other means.

For more information about personal rights under Equal Employment Opportunity, visit:

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Merck is an equal opportunity employer, Minority/Female/Disability/Veteran – proudly embracing diversity in all of its manifestations.

Job: Chemistry

Job Title:Sr. Scientist, Chemistry

Primary Location: NA-US-NJ-Rahway

Other Locations: NA-US-NJ-Kenilworth

Employee Status: Regular

Number of Openings: 1

Company Trade Name:Merck

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