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Rutgers University

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.