Lead Software Developer – GPU-accelerated Free Energy Simulation and Machine Learning Methods

🇺🇸 Hybrid - Piscataway, NJ 🕑 Full-Time 💰 $94K 💻 Software Engineering 🗓️ June 3rd, 2026

Python

Edtech.com's Summary

Rutgers University is hiring a Lead Software Developer – GPU-accelerated Free Energy Simulation and Machine Learning Methods. The role involves developing GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields, integrating these methods into the Amber software suite, and collaborating closely with Amber developers to optimize performance for drug discovery applications.

Highlights

Develop GPU-accelerated software for free energy simulations and AI-enhanced quantum mechanical force fields.
Integrate new methods into the Amber software suite used worldwide.
Collaborate with Amber developers to optimize code usability and performance leveraging the latest GPU technology.
Required proficiency in Python, C++, CUDA, and experience in software engineering and molecular simulation workflows.
PhD in biology (preferred) or chemistry with postdoctoral experience using Amber.
Strong knowledge of alchemical free energy methods, quantum/machine-learning simulations, and high-performance computing.
Responsibilities include software development, testing, documentation, and applying methods within drug discovery workflows.
Salary starts at $93,588 with comprehensive benefits including medical, dental, retirement plans, and educational benefits.
Works within the Laboratory for Biomolecular Simulation Research and the Institute for Quantitative Biomedicine at Rutgers.
Opportunity to lead a high-impact project aimed at drug discovery or related startup efforts.