Associate Principal Scientist, Molecular Modeling

Job Overview We are a global biopharmaceutical leader with a diverse portfolio of prescription medicines, oncology, vaccines and animal health products. We are driven by our purpose to develop and deliver innovative products that save and improve lives. With 69,000 employees operating in more than 140 countries, we offer state‑of‑the‑art laboratories, plants and offices that inspire our employees to learn, develop and grow in their careers. The company has over 125 years of service to humanity and remains one of the world's largest investors in research and development. We are seeking a motivated Associate Principal Scientist to join our Digital Insights team within the Development Sciences and Clinical Supply (DSCS) Digital Technologies organization. The organization invents and applies digital tools and workflows to support scientists across drug substance development, drug product development, and analytical development. Digital technology is the multiplier that enables DSCS to deliver better experiments faster, promote efficient filing and launch, create more robust supply chains, and enable higher‑confidence decisions across the portfolio. We aspire to embed digital technologies into the fabric of DSCS culture to drive transformational impact by innovating solutions through strong partnership in Data Science, Data Analysis, Informatics, Multi‑Omics, Predictive Science, and Data Engineering. Primary Responsibilities Expert execution of atomistic molecular modeling and molecular dynamics simulations. Application of predictive approaches to address scientific problems across pharmaceutical characterization techniques. Application of data science workflows to address pipeline challenges across all modalities, with initial emphasis on biologics. Generation of data analysis and visualization workflows. Input on development of dashboards, reports, and data exports. Influence definition of digital strategy. Lead and manage projects, including scope definition, stakeholder alignment, milestone tracking, and delivery against project timelines. Build strong partnerships with business stakeholders to gather requirements for new digital and data solutions that have direct pipeline impact. Demonstrate excellent interpersonal, communication, and collaboration skills. Perform impactful scientific innovation in a team‑oriented manner that builds trusted partnerships across vast stakeholder networks. Publish and present research, including an established track record of interaction with the broader academic community. Education Minimum Requirements A Ph.D. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely‑related field with at least 4 years of relevant experience. A M.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely‑related field with at least 6 years of relevant experience. A B.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely‑related field with at least 8 years of relevant experience. Required Experience and Skills Expertise in atomistic modeling (direct experience with antibodies and at least one other modality: small molecules, peptides, biologics, conjugates, and vaccines). Expertise in executing molecular dynamics simulations of multi‑component systems. Expertise across multiple computational modeling platforms such as Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold, etc. Familiarity with programming in R and/or Python and Posit/RStudio/Jupyter. Experience with one or more data visualization tools (Shiny, Spotfire, Dash, PowerBI, Streamlit, or Tableau). Excellent verbal and written communication skills. Ability to work independently and collaborate effectively as part of a team. Preferred Experience and Skills Multi‑scale modeling including coarse‑grained molecular dynamics. Familiarity with machine learning/Gen‑AI. Experience with pharmaceutical drug product development involving formulation design. Knowledge of development of chemical matter across one or more modalities. Track record of impact in the pharmaceutical industry with relevant examples directed towards pipeline objectives. Development of dashboards, reports, and data exports. Salary and Benefits Salary range: $142,400.00 – $224,100.00. The salary is based on several factors including education, qualifications, certifications, experience, skills, geographic location, government requirements, and business or organizational needs. Eligible candidates will be considered for annual bonus and long‑term incentive, if applicable. We offer a comprehensive benefits package including medical, dental, vision, retirement benefits, 401(k), paid holidays, vacation, compassionate and sick days, and other insurance benefits. More information about benefits is available at Equal Employment Opportunity 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 or #J-18808-Ljbffr Merck & Co.