Senior Scientist I Computational Chemistry

📋 Description

• Collaborate with Discovery Research & Development Sciences to design and profile drug
• Advance computational chemistry capabilities with new methodologies to capture developability
• Lead computational science on project teams to support various aspects of drug discovery and
• Generate hypotheses for compound property improvement and apply to new design.
• Contribute to computational infrastructure by identifying novel tools and techniques.
• Promote design-driven and predict-first culture; educate colleagues on tools and techniques.

🎯 Requirements

• Bachelors/Masters/PhD with 8+ (BS), 5+ (MS), 0-3 (PhD) years in computational chemistry or related
• Knowledge in QM, MD, structure-based/ligand-based design, property modeling.
• Advanced user of QM/MD software (e.g., PySCF, Psi4, GROMACS, OpenMM, LAMMPS, etc. or commercial
• Ability to build/integrate computational models and modify workflow source code.
• Familiarity with ML/AI packages (e.g., Scikit-learn, PyTorch) and programming in Python, R, C/C++.
• Nice to have: deep understanding of electronic structure methods and quantum computing algorithms

🎁 Benefits

• AbbVie offers a comprehensive benefits package including PTO, medical/dental/vision insurance, and
• Eligibility to participate in short-term incentive programs.
• Equal Opportunity Employer; information on equal employment opportunities is available on AbbVie’s