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

🇺🇸 Hybrid - Piscataway, NJ 🕑 Full-Time 💰 $94K 💻 Software Engineering 🗓️ June 12th, 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 new GPU-accelerated software for alchemical free energy simulations and AI-enhanced quantum mechanical force fields, integrating these into the Amber software suite, and collaborating closely with Amber developers to optimize performance for drug discovery applications.

Highlights

Lead development of GPU-accelerated software for free energy simulation and AI-enhanced quantum mechanical force fields.
Integrate new methods into the next-generation Amber software suite used globally.
Collaborate with Amber developers to optimize usability and performance leveraging the latest GPU technology.
Requires proficiency in Python, C++, CUDA, and software engineering principles.
Experience with molecular simulation methods, particularly alchemical free energy, quantum/machine-learning methods, and high-performance computing.
PhD in biology (preferred) or chemistry with postdoctoral experience using Amber software.
Strong written and oral communication skills with ability to work independently and contribute to scientific manuscripts and proposals.
Salary starting at $93,588 with a comprehensive benefits package including medical, dental, retirement plans, and paid leave.
Software development will use Rutgers computer resources, including national production cyberinfrastructure.
Position is full-time within the Institute for Quantitative Biomedicine and Laboratory for Biomolecular Simulation Research at Rutgers University.