Senior Scientist I Computational Chemistry
AbbVie
18 days ago
Remote friendly (North Chicago, IL)
United States
$96,500 - $183,500 USD yearly
Other
Responsibilities:
- In collaboration with Discovery Research and Development Sciences project teams, utilize advanced computational tools for the design, optimization, and profiling of drug candidates.
- Advance computational chemistry capabilities by innovating and implementing methodologies/workflows to capture developability properties (permeability, stability, toxicity, solubility), including molecular simulations/QM coupled with AI/ML to predict conformations/electronic structure impacts on ADMET and CMC properties.
- Serve as a lead computational scientist and drive development/implementation of appropriate computational models for drug discovery and development.
- Generate hypotheses for compound property improvement and apply them to new compound design.
- Contribute to computational infrastructure development by identifying novel tools/techniques.
- Act as a strong team player in a cross-functional environment.
- Demonstrate excellent oral and written communication.
- Promote a design-driven, predict-first culture.
- Educate and train colleagues on computational tools and techniques.
Qualifications:
- BS/MS/PhD in computational chemistry, computer science, biophysics, chemical engineering, or related field, with 8+ (BS), 5+ (MS), or 0–3 (PhD) years of experience.
- Knowledge of quantum mechanics/chemistry, molecular reactivity, molecular dynamics, structure/ligand-based design, structure-property relationship modeling, and physicochemical property prediction.
- Advanced user of QM/MD software (e.g., PySCF, Psi4, GROMACS, OpenMM, LAMMPS, VASP, Schrodinger, OpenEye, MOE).
- Ability to build/integrate computational models and modify/improve workflow source codes as needed.
- Familiarity with ML/neural network packages (e.g., scikit-learn, PyTorch).
- Proficiency coding in Python, R, C/C++.
- Nice to have: expertise in electronic structure methodologies/algorithms and quantum computing (e.g., Qiskit).
Benefits (if explicitly stated):
- Paid time off; medical/dental/vision insurance; 401(k) to eligible employees.
Application instructions:
- None provided in the source text.
- In collaboration with Discovery Research and Development Sciences project teams, utilize advanced computational tools for the design, optimization, and profiling of drug candidates.
- Advance computational chemistry capabilities by innovating and implementing methodologies/workflows to capture developability properties (permeability, stability, toxicity, solubility), including molecular simulations/QM coupled with AI/ML to predict conformations/electronic structure impacts on ADMET and CMC properties.
- Serve as a lead computational scientist and drive development/implementation of appropriate computational models for drug discovery and development.
- Generate hypotheses for compound property improvement and apply them to new compound design.
- Contribute to computational infrastructure development by identifying novel tools/techniques.
- Act as a strong team player in a cross-functional environment.
- Demonstrate excellent oral and written communication.
- Promote a design-driven, predict-first culture.
- Educate and train colleagues on computational tools and techniques.
Qualifications:
- BS/MS/PhD in computational chemistry, computer science, biophysics, chemical engineering, or related field, with 8+ (BS), 5+ (MS), or 0–3 (PhD) years of experience.
- Knowledge of quantum mechanics/chemistry, molecular reactivity, molecular dynamics, structure/ligand-based design, structure-property relationship modeling, and physicochemical property prediction.
- Advanced user of QM/MD software (e.g., PySCF, Psi4, GROMACS, OpenMM, LAMMPS, VASP, Schrodinger, OpenEye, MOE).
- Ability to build/integrate computational models and modify/improve workflow source codes as needed.
- Familiarity with ML/neural network packages (e.g., scikit-learn, PyTorch).
- Proficiency coding in Python, R, C/C++.
- Nice to have: expertise in electronic structure methodologies/algorithms and quantum computing (e.g., Qiskit).
Benefits (if explicitly stated):
- Paid time off; medical/dental/vision insurance; 401(k) to eligible employees.
Application instructions:
- None provided in the source text.