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

🇺🇸 Piscataway, NJ 🕑 Full-Time 💰 $94K 💻 Software Engineering 🗓️ July 8th, 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 high-performance GPU-accelerated software for alchemical free energy simulations and AI-enhanced quantum mechanical force fields, integrating these innovations into the Amber software suite to advance drug discovery efforts.

Highlights

Develop GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields.

Integrate new methods into the Amber software suite used globally for biomolecular simulation.

Collaborate closely with Amber developers to optimize code usability and performance leveraging latest GPU technologies.

Requires proficiency in Python, C++, and GPU programming (e.g., CUDA), as well as experience in software engineering and design.

Applicants must hold a PhD in biology (preferred) or chemistry and have postdoctoral experience with Amber workflows.

Must have training and experience with molecular simulation methods, particularly alchemical free energy and quantum/machine-learning techniques.

Strong communication skills and the ability to work independently are required.

Salary starts at $93,588 with competitive and flexible compensation packages based on qualifications.

Position offers comprehensive benefits including medical, dental, paid leave, retirement plans, and educational benefits.

Work includes developing, testing, documenting software, and performing applications within drug discovery workflows using high-performance computing resources.