Senior Scientist Computational Chemistry at AbbVie North Chicago, IL

Senior Scientist I Computational Chemistry – Abb Vie, North Chicago, IL.

Abb Vie's mission is to discover and deliver innovative medicines and solutions that address serious health challenges. The company focuses on multiple therapeutic areas including immunology, oncology, neuroscience, and eye care, and offers a portfolio of products and services through its Allergan Aesthetics line.

Within Abb Vie's Molecular Profiling and Drug Delivery (MPDD) function in the Small Molecule CMC organization, scientists work across drug discovery and development stages. They collaborate with cross‑functional teams to identify commercial solid forms of active pharmaceutical ingredients (APIs), establish structure‑property‑performance correlations, and transition processes to commercial manufacturing sites. Computational chemists in this team apply advanced physics‑based, machine learning, and hybrid modeling techniques in two focus areas: molecular design and profiling, and formulation design across small molecules, peptides, and large molecules.

The Senior Scientist will drive the development of stage‑appropriate computational models to enable the design and optimization of oral and developable macrocyclic peptides, collaborating closely with discovery colleagues in the Process Scientist and medicinal chemistry teams.

• Collaborate with R&D project teams to apply advanced computational tools for the design, optimization, and profiling of macrocyclic peptides and small‑ and large‑molecule drug candidates.
• Advance peptide and large‑molecule computational chemistry capabilities through innovation and implementation of new methods and workflows that capture key develop ability properties such as permeability, stability, and solubility.
• Serve as a lead computational scientist on project teams, driving the development and implementation of computational models to support drug discovery and development decisions.
• Generate hypotheses for compound property improvement and apply them to new compound design.
• Contribute to the development of computational infrastructure by identifying novel tools and techniques.
• Work effectively in a cross‑functional collaborative environment.
• Demonstrate excellent communication skills:
  • Strong oral and written technical communication.
  • Promote a design‑driven, prediction‑first culture.
  • Educate and train colleagues on computational tools and techniques.

• Bachelor's, Master’s, or Ph.D. with 8+ (BS), 5+ (MS), or 0–3 (PhD) years of experience in computational chemistry, computer science, biophysics, chemical engineering, or a related field.
• Strong knowledge in at least one area of computational chemistry such as quantum mechanics, molecular dynamics, structure‑based design, ligand‑based design, structure–property relationship modeling, or physicochemical property prediction.
• Advanced user of QM or MD software packages, including open‑source (GROMACS, OpenMM, LAMMPS) or commercial tools (Schrödinger, Open Eye, MOE, etc.).
• Ability to build and integrate computational models through combination of workflows and, when needed, modify or improve source code.
• Familiarity with machine learning or neural‑network packages such as scikit‑learn, PyTorch, Tensor Flow, etc.
• Proficient in coding with Python, R, C/C++, or similar languages.

• Builds strong relationships with peers and partners outside the team.
• Learns quickly, grasps fundamentals, and adapts course of work as required.
• Raises the bar and continuously seeks improvement.
• Creates a learning environment open to suggestions and experimentation.
• Embraces ideas from others, nurtures innovation, and manages innovative projects to fruition.

The compensation range described represents the range of possible base pay for this role. Actual compensation may vary by geographic location and other factors. The company offers a comprehensive benefits package, including paid time off (vacation, holidays, sick leave), medical/dental/vision insurance, and a 401(k) plan. The position is eligible for short‑term incentive programs.

Abb Vie is an equal‑opportunity employer and is committed to operating with integrity, driving innovation, and serving its community. Veterans and individuals with disabilities are encouraged to apply.