Principal Research Scientist II, Computational Sciences, MPDD

AbbVie; North Chicago (IL); On-site; USD 142,000 - 269,000; Full time

Job summary

AbbVie’s MPDD seeks a Principal Research Scientist II to lead computational chemistry efforts across drug discovery. You will guide modeling, benchmarking, and the integration of quantum mechanics, molecular dynamics, and AI/ML into design workflows for multiple synthetic modalities.

You will collaborate with medicinal chemists and data scientists, mentor staff, and shape strategy for stage-appropriate computational tools from lead optimization through development.

Qualifications

• Bachelor’s degree or higher in chemistry, computational chemistry, pharmaceutical sciences, chemical engineering, computer science, or a related field.
• Extensive knowledge of computational chemistry methods including quantum mechanics and molecular dynamics.
• Experience applying computational models to medicinal chemistry and drug discovery.
• Ability to communicate complex results to diverse audiences.

Responsibilities

• Partner with project teams to set quantitative objectives for lead optimization and de-risking.
• Provide scientific leadership in applying computational chemistry to molecular design and materials design.
• Lead benchmarking studies to evaluate model performance and limitations.
• Communicate rationale for model choice and workflows to project teams and leadership.
• Develop and improve a portfolio of internal computational models and workflows.
• Apply physics-based methods and AI/ML approaches to support drug discovery and development.
• Collaborate with cross-functional teams to integrate computational tools into design and screening workflows.
• Provide expert guidance to direct reports, peers, and senior leaders.
• Identify emerging scientific trends and incorporate opportunities into strategy.
• Lead or support development and democratization of computational capabilities across workflows.
• Present program updates and scientific recommendations to leaders and partners.
• Maintain awareness of literature and translate advances into opportunities.
• Prepare publications, abstracts, and conferences disclosures; engage with external collaborators.

Education

Bachelor’s degree or higher in chemistry/computational chemistry/pharmaceutical sciences/computer science

Strong experience in computational chemistry and data science

Experience with quantum mechanics, molecular dynamics, AI/ML

Job description

Principal Research Scientist II, Computational Sciences, MPDD

• Full-time
• Salary Min: 141500
• Salary Max: 268500
• Workday Global Grade: 20
• Compensation: USD 141500 - USD 268500 - yearly

About AbbVie

AbbVie'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 AbbVie, please visit us atwww.abbvie.com . Follow @abbvie onLinkedIn, Facebook ,Instagram ,X andYouTube.

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 structure–property–performance correlations that help deliver robust commercial processes and align control strategies across drug substance and drug product.

Computational chemists within AbbVie’s MPDD organization partner across Development Sciences and Discovery Sciences in three key focus areas: molecular design and profiling, chemical transitions, and materials design across synthetic modalities. Their work supports the design and advancement of compounds, materials, and formulations with optimal developability properties from lead optimization through commercial development, aligned with the broader goal of advancing first-in-class and best-in-class clinical candidates. The team develops hierarchical modeling approaches that integrate physics-based atomistic methods, including molecular dynamics and quantum mechanics, with machine learning, artificial intelligence, and hybrid physics-informed AI/ML models across hardware platformsforprecision inpredictions. In close collaboration with medicinal chemists, data scientists, materials scientists, formulation scientists, engineers, and molecular modelers, the team embeds these tools into screening funnels across medicinal chemistry design cycles and preclinical and clinical drug-substance and drug-product development, while maintaining a strong partnership ecosystem to source and leverage external innovation.

Job Description

AbbVie’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 AbbVie’s 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 AbbVie’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, and 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 AbbVie.

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 AbbVie policies and procedures.

Qualifications

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 tomedicinal chemistry, drug discovery, and molecular optimization.

Extensive knowledge and experience with modern computational methods, including quantum mechanics, molecular dynamics, atomistic molecular simulations, machine learning, artificial intelligence, and/or hybrid physics-informed AI/ML approaches.

Demonstrated experience developing, evaluating, and applying computational models and workflows across multiple stages of the drug discovery and development process.

Experience establishing model performance benchmarks, defining domains of applicability, and communicating model limitations and appropriate use to multidisciplinary project teams.

Demonstrated ability to translate complex computational concepts and scientific results into clear, actionable recommendations for technical and nontechnical audiences.

Experience leading multiple complex research programs, initiatives, or capability-development activities in a matrixed and/or direct-reporting environment.

Demonstrated experience mentoring and developing early- and mid-career scientists and fostering a collaborative, inclusive, and innovative team environment.

Strong analytical and problem-solving skills, with the ability to think critically and creatively and develop solutions independently and collaboratively with internal and external experts.

Highly organized, self-directed, and able to prioritize resources and deliver results across multiple simultaneous programs.

Demonstrated ability to identify emerging technologies, assess their potential value, and guide their adoption to achieve project and functional objectives.

Strong written and verbal communication skills, including experience presenting scientific strategies and results to senior leaders, cross-functional teams, and external partners.

A record of scientific contributions through publications, conference presentations, abstracts, patents, or other appropriate scientific disclosures is preferred.

Applicable only to applicants applying to a position in any location with pay disclosure requirements under state orlocal law:

• The compensation range described below is the range of possible base pay compensation that the Companybelieves ingood faith it will pay for this role at the timeof this posting based on the job grade for this position.Individualcompensation paid within this range will depend on many factors including geographic location, andwemayultimatelypaymore or less than the posted range. This range may bemodifiedin thefuture.
• We offer a comprehensive package of benefits including paid time off (vacation, holidays, sick),medical/dental/visioninsurance and 401(k) to eligibleemployees.
• This job is eligible toparticipatein our long-term incentiveprograms.

Note: No amount of payis considered to bewages or compensation until such amount is earned, vested, anddeterminable.The amount and availability of any bonus,commission, incentive, benefits, or any other form ofcompensation and benefitsthat are allocable to a particular employeeremainsin the Company's sole andabsolutediscretion unless and until paid andmay bemodifiedat the Company’s sole and absolute discretion, consistent withapplicable law.

AbbVie is an equal opportunity employer and is committed to operating with integrity, driving innovation, transforming lives and serving our community. Equal Opportunity Employer/Veterans/Disabled.

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