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

🇺🇸 Hybrid - Piscataway, NJ 🕑 Full-Time 💰 $94K 💻 Software Engineering 🗓️ June 18th, 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 and AI-enhanced quantum mechanical force fields integrated into the Amber software suite, supporting drug discovery workflows through high-performance computing and molecular simulation methods.

Highlights

Develop GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields.
Work closely with Amber developers to implement and optimize new simulation methods.
Utilize object-oriented programming skills in Python, C++, and GPU programming such as CUDA.
Apply expertise in molecular simulation, especially alchemical free energy and quantum/machine learning methods.
Manage software development, testing, documentation, and simulation applications within drug discovery workflows.
Requires PhD in biology (preferred) or chemistry and postdoctoral experience with Amber workflows.
Strong written and oral communication skills; ability to work independently and prepare scientific manuscripts or proposals.
Access to Rutgers and national cyberinfrastructure resources for software development.
Full-time position with a minimum salary of $93,588 and comprehensive benefits package.
Department: Quantitative Biomedicine Institute, collaborating with the Laboratory for Biomolecular Simulation Research.