Principal Scientist, Large Language Reasoning - Drug Discovery

Principal Scientist, Large Language Reasoning – Drug Discovery

Johnson & Johnson Innovative Medicine (J&J IM) develops treatments that improve the health and well‑being of people worldwide, focusing on oncology, cardiovascular, retina disorders, immunology and neuroscience.

We are recruiting for the role of Principal Scientist – Large Language Reasoning for Drug Discovery. Primary location: Barcelona / Madrid, Spain; secondary location: Germany.

Key Responsibilities

• Pioneer breakthrough multimodal AI systems that synthesize scientific data into actionable insights which accelerate drug discovery.
• Architect next‑generation agent memory systems that establish how AI retains knowledge and makes context‑aware decisions, creating persistent intelligence that evolves across the entire discovery‑to‑development pipeline.
• Define the future of AI reliability in R&D by orchestrating groundbreaking research in uncertainty quantification and establishing new standards for trustworthy AI‑driven scientific reasoning.
• Shape the scientific vision as an inspiring leader, translating emerging AI/ML frontiers into transformative applications while mentoring teams to push the boundaries of what is possible in computational drug discovery.
• Drive scientific validation and impact by rigorously benchmarking AI agents against top human experts and state‑of‑the‑art methods, with the opportunity to publish paradigm‑shifting findings in premier venues.

Required Qualifications

• Ph.D. in AI/ML or related fields (computer science, machine learning, data science, applied mathematics, statistics) with 2+ years of proven experience.
• Deep expertise in sophisticated mathematical frameworks including Bayesian inference, uncertainty quantification, information theory, causal inference, graph neural networks, and related methodologies that advance the field of agentic reasoning.
• Proficiency with agentic frameworks (LangGraph, DSPy, mem0) and deep learning platforms (PyTorch, TensorFlow), extending these tools for novel scientific applications.
• Exceptional Python programming skills, capable of architecting scalable solutions that bridge innovation and production deployment.
• The ability to lead small teams of researchers to achieve success in their work.

Preferred (Nice‑to‑Have) Qualifications

• Understanding of the drug discovery pipeline and familiarity with biological data types.
• Strong understanding of statistics and applicable methods to validate model performance.
• Familiarity with cloud hosting solutions (e.g., AWS and/or Azure).

Johnson & Johnson is an Aff­rif‑itive­Action and Equal Opportunity Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, age, national origin, and will not be discriminated against on the basis of disability.

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