Rutgers University
Lead Software Developer – GPU-accelerated Free Energy Simulation and Machine Learning Methods
🇺🇸
Piscataway, NJ
🕑
Full-Time
💰
$94K
💻
Software Engineering
🗓️
May 23rd, 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 and implementing new GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical force fields integrated into the Amber software suite to advance drug discovery. The developer will collaborate closely with Amber developers to optimize performance and usability using the latest GPU technology.
Highlights
- Lead the design and development of GPU-accelerated software for free energy simulations and AI-enhanced quantum mechanical force fields.
- Integrate new methods into the Amber software suite, widely used for biomolecular simulations.
- Develop, test, and document software and apply it within drug discovery workflows including ligand-protein binding simulations.
- Proficiency required in object-oriented programming languages, especially Python and C++, and GPU programming such as CUDA.
- Experience and training in molecular simulation methods, particularly alchemical free energy, quantum/machine learning methods, and high-performance computing.
- Must have deep familiarity with Amber workflows and excellent written and oral English communication skills.
- Applicants must hold a PhD in biology (preferred) or chemistry and possess postdoctoral experience with Amber.
- Salary starts at a minimum of $93,588 with potential adjustments based on qualifications, experience, and funding availability.
- Benefits include medical, dental, paid leave, retirement plans, educational benefits, life insurance, and employee discounts.
- Work involves access to Rutgers and national computing resources, participation in team meetings, and potential domestic or international travel.
