Post-doctoral Computational Chemist, Advanced Molecular Design

Role: Post-doctoral Computational Chemist in Lilly's Advanced Molecular Design (AMD) team, supporting drug discovery through computational methods. Responsibilities: conduct quantum mechanical calculations, molecular dynamics simulations, and free energy analyses to study protein interactions; develop and maintain informatic infrastructure; automate workflows; collaborate with multidisciplinary teams including medicinal chemists and structural biologists; stay current with emerging AI/ML techniques in drug design. Requirements: Ph.D. in Computational Chemistry, Bioinformatics, Biophysics, or related field; strong foundation in physical and organic chemistry; experience with molecular dynamics, quantum mechanics, free energy calculations, and structural biology data; proficiency in Python, scripting, HPC environments, and cheminformatics tools; effective communication and team collaboration skills. High-Value: focus on structure-based drug design, molecular simulations, AI/ML integration, and computational workflows; position based onsite in Indianapolis, Indiana; fixed-term up to 2 years with possible extension.