Lead Software Developer

Job Summary

A company is looking for a Lead Software Developer specializing in GPU-accelerated Free Energy Simulation and Machine Learning Methods.

Key Responsibilities

• Develop GPU-accelerated software for alchemical free energy and AI-enhanced quantum mechanical simulations
• Collaborate with Amber developers to implement new methods and optimize software performance
• Engage in drug discovery workflows, including simulations and analysis of ligand-protein binding

Required Qualifications

• PhD in biology (preferred) or chemistry with postdoctoral experience using Amber
• Proficiency in object-oriented programming, particularly Python and C++, and GPU programming (e.g., CUDA)
• Experience in molecular simulation methods, especially alchemical free energy and quantum/machine-learning methods
• Deep familiarity with free energy workflows and Amber software
• Experience in high-performance computing