CUDA Accelerates Computational Discovery of New Nanoporous Materials

Originally published at: https://developer.nvidia.com/blog/cuda-accelerates-computational-discovery-of-new-nanoporous-materials/

While GPUs were originally developed for computer graphics, they are now being used by scientists to help solve important engineering problems. The performance gains from parallelizing molecular simulation codes in CUDA have facilitated efforts to computationally evaluate large databases of nanoporous material structures for several applications. Researchers from UC Berkeley and Lawrence Berkeley National Laboratory…