Associate Principal Scientist, Molecular Modeling

Associate Principal Scientist (Digital Insights, DSCS Digital Technologies)

Primary Responsibilities:
- Execute atomistic molecular modeling and molecular dynamics simulations.
- Apply predictive approaches across pharmaceutical characterization techniques.
- Use data science workflows to address pipeline challenges (initial emphasis on biologics).
- Generate data analysis and visualization workflows; contribute to dashboards, reports, and data exports.
- Influence digital strategy; lead/manage projects (scope, stakeholder alignment, milestone tracking, timeline delivery).
- Partner with business stakeholders to define requirements for new digital/data solutions.
- Communicate and collaborate effectively; publish/present research.

Education (minimum):
- Ph.D. (or M.S./B.S.) in computational chemistry/related fields with relevant experience (Ph.D. 4+ yrs; M.S. 6+ yrs; B.S. 8+ yrs).

Required Experience & Skills:
- Atomistic modeling expertise (antibodies + at least one other modality).
- Molecular dynamics simulations for multi-component systems.
- Computational platforms (e.g., Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold).
- Programming: R and/or Python; Posit/RStudio/Jupyter.
- Data visualization tools (e.g., Shiny, Spotfire, Dash, PowerBI, Streamlit, Tableau).
- Excellent written/verbal communication; work independently and collaboratively.

Preferred:
- Multi-scale/coarse-grained MD; ML/GenAI; formulation design experience; chemical matter development; dashboard/report/export experience; industry impact.

Benefits/Compensation (if applicable in posting):
- Eligible for annual bonus and long-term incentive.
- Comprehensive benefits include medical/dental/vision, retirement (401(k)), paid holidays/vacation, compassionate and sick days.

Application:
- Apply via https://jobs.merck.com/us/en (deadline stated on posting).