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 performing simulations and analyzing thermodynamic data

Required Qualifications

• PhD in biology (preferred) or chemistry with postdoctoral experience in Amber workflows
• Proficiency in object-oriented programming, particularly in Python and C++, and GPU programming (e.g., CUDA)
• Experience in software engineering and molecular simulation methods, especially alchemical free energy and quantum/machine-learning methods
• Familiarity with high-performance computing and free energy workflows
• Ability to work independently and prepare scientific manuscripts and proposals