Principal Research Scientist II, Computational Sciences, MPDD

About Abb Vie 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. For more information about Abb Vie, please visit us  Follow @abbvie onLinked

In,Facebook,Instagram,Xand You Tube . Company Description About Abb Vie 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.

For more information about Abb Vie, please visit us  Follow @abbvie onLinked

In,Facebook,Instagram,Xand You Tube .
Job Description 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 successintodevelopment and to inform clinical drug-delivery strategy.

From candidate selection through clinical proof of concept and product launch, MPDD scientists work on cross-functional teams to identify the commercial solid form of the active pharmaceutical ingredient (API) and establish structurepropertyperformance correlations that help deliver robust commercial processes and align control strategies across drug substance and drug product. Job Description Abb Vies  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 organizations computational sciences vision in alignment with Abb Vies broader R&D priorities and AI strategy. In this role, the successful candidate will collaboratively guide the identification, development, piloting, implementation, and eventual democratization of stage-appropriate computational models that leverage advanced computational techniques to enable the design and optimization of drug candidates across synthetic modalities.

The ideal candidate will bring a strong record of project impact, capability development, and external partnership building across the mid- to late-stage discovery process, with expertise in quantum mechanics, atomistic molecular simulations, including molecular dynamics, and AI/machine learning. Prior experience mentoring early- and mid-career scientists in matrixed and/or direct-reporting relationships is also expected. Responsibilities

• 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 Vies 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…