Senior Scientist I Computational Chemistry

What you'll do

• Use advanced computational tools to design, optimize, and profile drug candidates across various modalities.
• Implement new methodologies like QM, MD, and AI/ML to predict ADMET and CMC properties.
• Serve as a lead computational scientist to drive the development of models for project teams.
• Generate hypotheses for compound property improvements and apply them to new chemical designs.
• Identify and integrate novel tools and techniques to improve computational infrastructure.
• Educate and train colleagues on various computational tools and techniques.

What we're looking for

• Bachelor's, Master's, or PhD degree in computational chemistry, computer science, biophysics, chemical engineering, or a related field.
• Experience for BS holders, for MS holders, and for PhD holders in the relevant fields.
• Knowledge in areas such as quantum mechanics, molecular dynamics, structure-based design, or physicochemical property prediction.
• Advanced proficiency with QM or MD software packages including open-source codes or commercial software.
• Ability to build, integrate, and modify computational models and workflow source codes.
• Familiarity with machine learning or neural network packages such as Scikit-learn or PyTorch.
• Proficiency in writing code in Python, R, C/C++, or other relevant languages.
• Deep understanding of electronic structure methodologies and experience with quantum computing algorithms (preferred).