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

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

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 worldwide.
Collaborate with Amber developers to enhance code usability and performance utilizing the latest GPU technology.
Perform software development, testing, documentation, and application in drug discovery workflows including simulations and thermodynamic analyses.
Proficiency required in object-oriented programming languages such as Python and C++, and GPU programming (e.g., CUDA).
Experience with molecular simulation methods, especially alchemical free energy, quantum, machine learning methods, and high-performance computing is necessary.
Must hold a PhD in biology (preferred) or chemistry with postdoctoral experience developing Amber workflows.
Strong communication skills and ability to work independently and prepare scientific manuscripts or proposals are required.
Salary starts at $93,588 with a comprehensive benefits package including medical, dental, retirement plans, and educational benefits.
The position is full-time within the Institute for Quantitative Biomedicine at Rutgers University.