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Director, Computational Chemistry



Boston, MA, USA
Posted on Friday, May 17, 2024

Job Description

We are seeking a creative and passionate Computational Chemist with exceptional people and scientific leadership skills to lead our Boston, MA, USA - based Computational Chemistry group within Modeling and Informatics (M&I) at our company.

As part of our larger Discovery Chemistry organization, Modeling and Informatics is a diverse and inclusive team of approximately 50 computational chemists, informaticians, data and molecular design scientists who employ state of the art capabilities to drive drug design and development across the globe. We are seeking a passionate people leader and accomplished computational drug hunter to lead a team of talented computational chemists, support their growth and development, and provide strategic and scientific guidance to and through the team. As a member of the Global M&I Leadership Team, the successful candidate will also collaboratively set strategic directions and help shape the future of computational drug discovery at our company.

Key responsibilities will include:

People Leadership:

  • Management of the Boston Modeling Group, accountable for enabling talent growth and career development for all direct reports

  • Deploying computational chemistry resources within the team against the Boston, Cambridge, and company-wide portfolios to accelerate our pipeline

  • Supporting and driving Diversity, Equity, and Inclusion along with a culture of innovation and engagement

Scientific Leadership:

  • Delivering on our pipeline directly and through scientific direction of the group, including areas of technical focus

  • Scientific mentoring and training to maximize team impact against pipeline and capabilities deliverables

  • Leading aspects of our capability builds and working groups toward our future-state vision of computational drug discovery at our company


  • Collaboratively setting M&I strategy as a member of the M&I Leadership Team

  • Defining best practices for computational chemistry and directly influencing their execution

  • Reviewing opportunities for collaboration and licensing to enhance our capabilities

  • Enabling a design-driven and predict-first culture throughout our company's Chemistry

Building Relationships:

  • Building bridges and fruitful cross-functional collaborations with stakeholders across discovery chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, therapeutic area biology, information technology and beyond

We recognize that the diversity of our team is our strength, and we are committed to creating an inclusive environment for all employees. Successful candidates must demonstrate a commitment to inclusive behaviors in order to drive our core mission.

Position Qualifications:

Education Minimum Requirement:

  • Ph.D., M.S. or B.S. in chemistry, biochemistry, biophysics, or equivalent with a computational emphasis

Required Experience and Skills:

  • 8+ years of industrial experience with a Ph.D., 10+ years with a M.S., or 14+ years with a B.S.

  • Demonstrated broad success in advancing drug discovery through computation, both independently and as a team leader

  • Strong oral and written communication skills, with a recognized ability to positively influence decisions and strategy

  • Experience with and passion for developing and/or mentoring computational chemists

  • Ability to build strong, inclusive relationships in highly collaborative, cross-functional teams to effectively drive computational drug discovery and prioritize across multiple demands

  • Experience in complex problem solving with excellent attention to detail and influencing strategy across organizational boundaries

Preferred Experience and Skills:

  • Experience with people management of at least 1-2 direct reports

  • Experience in leading scientific initiatives or capability builds

  • Proficiency in general molecular modeling techniques (docking, molecular simulation, homology modeling, quantum mechanics, QSAR / machine learning, ligand- and structure-based design) with modern software packages (e.g. Schrodinger, OpenEye, CCG)

  • Skilled in scientific programming (e.g. Python, Pipeline Pilot) and data analytics (e.g. Spotfire)


In accordance with Managers' Policy - Job Posting and Employee Placement, all employees subject to this policy are required to have a minimum of twelve (12) months of service in current position prior to applying for open positions.

If you have been offered a separation benefits package, but have not yet reached your separation date and are offered a position within the salary and geographical parameters as set forth in the Summary Plan Description (SPD) of your separation package, then you are no longer eligible for your separation benefits package. To discuss in more detail, please contact your HRBP or Talent Acquisition Advisor.


Employees working in roles that the Company determines require routine collaboration with external stakeholders, such as customer-facing commercial, or research-based roles, will be expected to comply not only with Company policy but also with policies established by such external stakeholders (for example, a requirement to be vaccinated against COVID-19 in order to access a facility or meet with stakeholders). Please understand that, as permitted by applicable law, if you have not been vaccinated against COVID-19 and an essential function of your job is to call on external stakeholders who require vaccination to enter their premises or engage in face-to-face meetings, then your employment may pose an undue burden to business operations, in which case you may not be offered employment, or your employment could be terminated. Please also note that, where permitted by applicable law, the Company reserves the right to require COVID-19 vaccinations for positions, such as in Global Employee Health, where the Company determines in its discretion that the nature of the role presents an increased risk of disease transmission.

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.

We are an Equal Opportunity Employer, committed to fostering an inclusive and diverse workplace. All qualified applicants will receive consideration for employment without regard to race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, or disability status, or other applicable legally protected characteristics. For more information about personal rights under the U.S. Equal Opportunity Employment laws, visit:

EEOC Know Your Rights

EEOC GINA Supplement​

Pay Transparency Nondiscrimination

We are proud to be a company that embraces the value of bringing diverse, talented, and committed people together. The fastest way to breakthrough innovation is when diverse ideas 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, generally Tuesday, Wednesday and either Monday or 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”.

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:




VISA Sponsorship:


Travel Requirements:


Flexible Work Arrangements:

Not Applicable


Not Indicated

Valid Driving License:


Hazardous Material(s):


Required Skills:

Data Science, High Performance Computing (HPC), Machine Learning, Researching, Scientific Modeling

Preferred Skills:

Job Posting End Date:


*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 Posting End Date:06/15/2024

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:R293540