Senior Principal Scientist (all genders) - Quantum Mechanics and Modeling
Core
Leverage quantum mechanics, physics-based modeling, machine learning, and AI to predict molecular properties and design/prioritize compounds for drug discovery.
Role type
Senior Principal Scientist (Quantum Mechanics & Modeling)
Builds
In-silico compound design and characterization workflows for the R&D discovery portfolio
Domain
Pharmaceutical R&D / Computational Chemistry / Quantum Mechanics
Deliverable
production ML models | product features
Required skills
Quantum chemistry, computational chemistry, organic chemistry, ligand-based design, structure-based design, virtual screening, molecular docking, molecular dynamics, binding-affinity calculations, generative design, quantum mechanics software (ORCA, xTB), scripting, programming, workflow automation, AI-driven DMTA loops, high-performance computing infrastructure management
Preferred skills
Experience with external IT providers, coaching and teaching others
Technologies
ORCA, xTB
Responsibilities
Advance drug discovery projects using quantum mechanics and data science; enable AI-augmented Design-Make-Test-Analyze cycles; apply cutting-edge quantum mechanics methods to understand molecular interactions; collaborate with experimentalists to solve scientific challenges; lead strategic digital initiatives; work with Data Science & AI units to adopt digital solutions
Seniority
Principal, hands-on IC with strategic leadership
