Principal Scientist, Computational Chemistry

  • Merck Company
  • South San Francisco, California
  • Full Time

Job Description

Our Research & Development Division in South San Francisco, a wholly owned subsidiary of our Company, is focused on driving discovery research. Our new multi-disciplinary discovery research site offers state-of- the-art resources to explore the most promising science combined with our Companys world-class R&D expertise in small molecules and biologics. Located within the heart of the Bay areas biomedical community, research conducted in our new laboratories spans exploratory biology through early clinical development and is an integral part of our Companys powerful world-class network of drug and vaccine discovery.

At our Company, we are inspired by the belief that a research-driven enterprise dedicated to scientific excellence can create medicines and vaccines that save and improve lives. Every employee is building on our proud legacy of scientific breakthrough. Our ability to impact the lives of patients worldwide depends on the integrity, creativity, humility and scientific acumen of our team. We are creating a diverse organization that is inspired by invention and founded on a culture of respect and collaboration. At our Company, youll have the opportunity to expand your knowledge and skills through collaboration with talented and dedicated colleagues while advancing your career.

Our Company is currently seeking a highly motivated and exceptional scientist in the Chemistry Modeling & Informatics group at our South San Francisco, CA site. The successful candidate will be responsible for the design and optimization of novel drug candidates using advanced computational techniques, taking on roles of responsibility within portfolio programs, and scientific talent development.

Key responsibilities:

  • Collaborating with interdisciplinary discovery teams to invent new medicines, define project strategy, and drive successful execution

  • Championing a design first strategy across our Company's Discovery Chemistry

  • Applying a variety of informatics and modeling techniques, including AI/ML methods, to analyze drug discovery datasets and accelerate the evolution of leads to drug candidates.

  • Continuing research in areas of molecular modeling relevant to drug discovery and maintaining an external scientific presence through authoring significant scientific publications and presentations.

  • Scientific collaboration across the global group and contributing to a diverse and inclusive community.

  • Mentoring of computational chemists with supervisory responsibility.

Position Qualifications:

Education:

  • Bachelor's (with 14+ years), Master's (with 10+ years) or Ph.D. (with 8+ years) in biophysics, biochemistry, chemistry, engineering, computational chemistry or related field and relevant experience

Required Experience and Skills:

  • Experience with computational approaches to lead identification and lead optimization of small molecules as potential drugs, including experience using computation to solve ADME/PK issues

  • Experience performing quantum chemistry calculations with tools such as Gaussian or ORCA

  • Experience with one or more of the following: MOE, Schrodinger, OpenEye

  • Programming experience with a language such as Python or C for scientific computing

  • Strong written and oral communication skills, with demonstrated ability to work well in multidisciplinary teams

  • Multiple publications and external presentations demonstrating creative application of computational chemistry approaches to problems of biological interest

#EligibleforERP

Current Employees apply HERE

Current Contingent Workers apply HERE

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:

EEOC Know Your Rights

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 anothers 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.

The salary range for this role is

$231,400.00 - $364,200.00

This is the lowest to highest salary we in good faith believe we would pay for this role at the time of this posting. An employees position within the salary range will be based on several factors including, but not limited to relevant education, qualifications, certifications, experience, skills, geographic location, government requirements, and business or organizational needs.

The successful candidate will be eligible for annual bonus and long-term incentive, if applicable.

We offer a comprehensive package of benefits. Available benefits include medical, dental, vision healthcare and other insurance benefits (for employee and family), retirement benefits, including 401(k), paid holidays, vacation, and compassionate and sick days. More information about benefits is available at .

You can apply for this role through (or via the Workday Jobs Hub if you are a current employee). The application deadline for this position is stated on this posting.

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/International

VISA Sponsorship:

Yes

Travel Requirements:

10%

Flexible Work Arrangements:

Not Applicable

Shift:

1st - Day

Valid Driving License:

No

Hazardous Material(s):

No

Required Skills:

ADME, Computational Chemistry, Computational Methods, Pharmacokinetics, Quantum Chemistry, Small Molecule Drug Discovery, Structure Based Drug Design

Preferred Skills:

Job Posting End Date:

09/30/2025

*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.

Job ID: 489144561
Originally Posted on: 8/12/2025

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