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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 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.