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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 9th, 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 GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields integrated into the Amber software suite, focusing on drug discovery applications. The developer will work closely with Amber developers to implement new methods, optimize code, and leverage the latest GPU technology.

Highlights

  • Develop GPU-accelerated software for alchemical free energy simulations and AI-enhanced quantum mechanical force fields.

  • Integrate new methods into the Amber software suite used worldwide.

  • Collaborate closely with Amber developers to optimize code usability and performance.

  • Proficiency required in object-oriented programming, especially Python, C++, and GPU programming (e.g., CUDA).

  • Experience with molecular simulation methods, including alchemical free energy, quantum methods, and machine learning techniques.

  • Strong knowledge of high-performance computing and Amber workflows is essential.

  • Provide scientific documentation and participate in manuscript and proposal preparation.

  • Minimum qualification includes a PhD in biology (preferred) or chemistry with postdoctoral experience using and developing Amber workflows.

  • Salary starts at $93,588 with comprehensive benefits including medical, dental, retirement plans, and educational benefits.

  • Position based at Rutgers University within the Quantitative Biomedicine Institute and Laboratory for Biomolecular Simulation Research.

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