Lead Software Developer - NJ

Job Summary

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