Lead Software Developer - GPU-accelerated Free Energy ...

The Laboratory for Biomolecular Simulation Research ( and Institute for Quantitative Biomedicine ( at Rutgers, the State University of New Jersey, is seeking a high-level software development scientist to create new modern free energy simulation and quantum mechanical/artificial intelligence tools. At Rutgers, the LBSR is directed by Professor Darrin York, and is dedicated to the development and application of innovative biomolecular simulation tools for enzyme design and drug discovery ( The successful candidate will develop new GPU-accelerated software for alchemical free energy and new AI-enhanced quantum mechanical force fields built using integrated semiempirical density-functional tight-binding and deep-learning neural networks. These methods will be integrated into the next-generation Amber software suite used worldwide. The project is to design and implement new high-performance software for drug discovery. The successful candidate will work in close contact with Amber develope...Software Developer, Simulation, Energy, Software, Machine Learning, Developer, Education

Created: 2026-05-09