Senior Principal Scientist Quantum Mechanics and Modeling

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At Bayer we’re visionaries, driven to solve the world’s toughest challenges and striving for a world where ,Health for all, Hunger for none’ is no longer a dream, but a real possibility. We’re doing it with energy, curiosity and sheer dedication, always learning from unique perspectives of those around us, expanding our thinking, growing our capabilities and redefining ‘impossible’. There are so many reasons to join us.

If you’re hungry to build a varied and meaningful career in a community of brilliant and diverse minds to make a real difference, there’s only one choice.

Senior Principal Scientist (all genders) - Quantum Mechanics and Modeling

As a key player in our R&D digital transformation, you will leverage quantum mechanics, physics-based modeling, machine learning and AI to predict molecular properties, design and prioritize compounds across our discovery portfolio. Collaborating closely with medicinal chemists, structural biologists, biologists, and data engineers, you will drive discovery project milestones and advance our digital transformation in R&D. Your role is crucial in shaping the future of drug discovery and development through innovative digital solutions.

• You advance drug discovery projects using quantum mechanics, data science, and modeling approaches to enable data‑driven decision‑making.
• You enable AI‑augmented Design‑Make‑Test‑Analyze cycles by advancing and applying methods for in‑silico compound design and characterization.

Applying cutting‑edge quantum mechanics methods to advance drug development and to generate a deep understanding of molecular interactions is central to your function

• You collaborate closely with experimentalists and internal partners to identify scientific challenges and develop effective solutions.
• You lead strategic digital initiatives and actively co‑shape the R&D digital strategy.
• Working closely with the Data Science & AI unit to leverage next‑generation technologies and drive the adoption of digital solutions is a core part of your role
• You share your skills and knowledge by coaching and teaching others, demonstrating collaborative and supportive behaviors.
• You contribute to self‑directed teams that work collaboratively and align with Bayer’s leadership standards.

• You hold a PhD in quantum chemistry, computational chemistry, chemistry, computer science, or a related discipline, with strong knowledge of organic chemistry.
• Demonstrated success in an industry setting defines your professional track record, supported by extensive professional experience where you have utilized a diverse range of ligand‑and structure‑based approaches, including virtual screening, docking, molecular dynamics, binding‑affinity calculations, generative design approaches, and holistic workflows
• You are proficient in quantum mechanics software such as ORCA and xTB, and you have experience in scripting, programming, and workflow automation
• You have experience working with AI‑driven DMTA loops in a pharmaceutical setting, as well as practical exposure to computational workflows that integrate AI, modeling, and chemistry
• You demonstrate high interest in managing high‑performance infrastructure and working with external IT providers
• You embrace holistic health principles and align your work with the organization’s vision as part of Bayer.
• Curiosity, creativity, and a strong passion for drug discovery are central characteristics that define you
• Fluency in English (written and spoken), with strong communication skills and the ability to present complex data clearly and effectively, round off your profile

This position can be filled on a full‑time or near full‑time (min.…