CUDA Spotlight: GPU-Accelerated Quantum Chemistry

Originally published at: https://developer.nvidia.com/blog/cuda-spotlight-gpu-accelerated-quantum-chemistry/

This week’s Spotlight is on Professor Todd Martínez of Stanford. Professor Martínez’ research lies in the area of theoretical chemistry, emphasizing the development and application of new methods which accurately and efficiently capture quantum mechanical effects. Professor Martínez pioneered the use of GPU technology for computational chemistry, culminating in the TeraChem software package that uses…