Lead Software Developer - NJ

Seeking a full-time Lead Software Developer - NJ, the successful candidate will develop GPU-accelerated software for alchemical free energy simulations and AI-enhanced quantum mechanical methods, contributing to drug discovery workflows while collaborating with Amber developers. Key responsibilities Develop high-performance software for drug discovery, focusing on GPU-accelerated alchemical free energy and quantum/deep-learning simulations Integrate new methods into the next-generation Amber software suite and optimize code usability and performance Conduct simulations, analyze thermodynamic data, and maintain up-to-date knowledge of relevant literature and technologies Required qualifications PhD in biology (preferred) or chemistry with postdoctoral experience in developing workflows using Amber Proficiency in object-oriented programming, particularly in Python and C++, and experience with GPU programming (e.g., CUDA) Training in molecular simulation methods, especially alchemical free energy and quantum/machine-learning techniques Deep familiarity with free energy workflows and the Amber software suite Strong written and oral communication skills in English, with the ability to work independently and prepare scientific manuscripts or proposals