Principal Research Scientist II, Molecular Profiling and Drug Delivery (MPDD

Principal Scientist II - Computational Chemistry

Abb Vie's mission is to discover and deliver innovative medicines and solutions that solve serious health issues today and address the medical challenges of tomorrow. We strive to have a remarkable impact on people's lives across several key therapeutic areas including immunology, oncology and neuroscience - and products and services in our Allergan Aesthetics portfolio.

The Molecular Profiling and Drug Delivery (MPDD) function within the Synthetic Molecule CMC organization is accountable for a broad range of deliverables across multiple stages of drug discovery and development. From virtual screening, lead generation, and lead optimization through candidate selection, MPDD scientists use state-of-the-art automation and computational tools, supported by expertise in biopharmaceutics, drug delivery, and solid-state chemistry, to collaboratively design and advance candidates with a higher probability of success into development and to inform clinical drug-delivery strategy.

Abb Vie's MPDD organization is seeking a highly motivated, talented, and creative scientific leader with deep expertise in computational chemistry for a Principal Scientist II position. This individual will help shape and advance the organization's computational sciences vision in alignment with Abb Vie's broader R&D priorities and AI strategy.

Responsibilities include:

• Partner with project teams across Discovery and Early Development to establish quantitative objectives for lead optimization and de-risking from candidate nomination through candidate selection.
• Provide scientific leadership in applying computational chemistry approaches to molecular design and profiling and, more broadly, to chemical transitions and materials design across synthetic modalities.
• Guide computational chemistry team members in designing and executing benchmarking studies to evaluate model performance, applicability, and limitations.
• Clearly communicate the rationale for selecting specific computational models and workflows, including their relevance to project objectives and stage-appropriate applications.
• Lead the development, implementation, and continuous improvement of a cohesive portfolio of internal computational models and workflows that address Abb Vie's small-molecule and synthetic-modality needs.
• Apply physics-based computational methods, including quantum mechanics and atomistic molecular simulations, as well as machine learning, artificial intelligence, and hybrid physics-informed AI/ML approaches to support drug discovery and development.
• Collaborate with medicinal chemists, data scientists, materials scientists, formulation scientists, engineers, molecular modelers, and other cross-functional partners to integrate computational tools into design and screening workflows.
• Proactively provide expert advice, technical guidance, and shared knowledge to direct reports, peers, project teams, and senior leaders.
• Identify emerging scientific trends from internal and external sources and incorporate relevant opportunities into functional objectives and longer-term computational sciences strategies.
• Lead or support the identification, development, piloting, implementation, and democratization of computational capabilities across appropriate discovery and development workflows.
• Present program updates, research strategies, and scientific recommendations to functional and cross-functional leaders, project teams, and external partners.
• Maintain awareness of emerging literature, technologies, and scientific advances in computational chemistry, data science, and AI/ML, and translate relevant developments into actionable research opportunities.
• Prepare and deliver concise scientific presentations, publications, conference abstracts, and other scientific disclosures within and outside Abb Vie.
• Build and maintain strong relationships with external collaborators and partners to source, evaluate, and leverage external innovation.
• Participate in internal and external initiatives and working groups to influence scientific thinking, approaches, and standards in computational medicinal chemistry.
• Ensure compliance with all applicable Abb Vie policies and procedures.

Qualifications include:

• Bachelor's degree or equivalent education in chemistry, computational chemistry, pharmaceutical sciences, chemical engineering, computer science, or a related scientific field, with typically 16+ years of related work experience;
  Master's degree or equivalent education, with typically 14+ years of related work experience; or a PhD in chemistry, computational chemistry, pharmaceutical sciences, chemical engineering, computer science, or a related field, with typically 8+ years of related work experience.
• Extensive knowledge and experience applying computational chemistry and data science approaches to medicinal chemistry, drug discovery, and molecular optimization.
• Extensive knowledge and experience with modern computational methods, including quantum…