Rutgers University
Lead Software Developer – GPU-accelerated Free Energy Simulation and Machine Learning Methods
🇺🇸
Hybrid - Piscataway, NJ
🕑
Full-Time
💰
$94K
💻
Software Engineering
🗓️
July 10th, 2026
Python
Edtech.com's Summary
Rutgers University is hiring a Lead Software Developer for GPU-accelerated Free Energy Simulation and Machine Learning Methods. The role involves developing high-performance GPU-accelerated software for alchemical free energy simulations and AI-enhanced quantum mechanical force fields, integrating these methods into the Amber software suite to support drug discovery initiatives.
Highlights
- Develop GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields.
- Integrate and optimize new methods within the Amber software suite used globally.
- Collaborate closely with Amber developers to enhance code usability and performance using latest GPU technologies.
- Utilize object-oriented programming skills in Python, C++, and GPU programming such as CUDA.
- Apply expertise in molecular simulation methods including alchemical free energy, quantum/machine-learning approaches, and high-performance computing.
- Hold a PhD in biology (preferred) or chemistry with postdoctoral experience in developing workflows using Amber.
- Communicate effectively in English, both orally and in writing, including scientific manuscript and proposal preparation.
- Salary starts at $93,588 with competitive and flexible compensation packages considering qualifications and market benchmarks.
- Position is full-time within the Department of Quantitative Biomedicine at Rutgers University.
- Access to Rutgers’ in-house and national cyberinfrastructure resources for software development and simulations.
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