GPU Accelerated Quantum Chemistry: A New Method
by Rich Brueckner from High-Performance Computing News Analysis | insideHPC on (#BBRT)
"The ability to accurately and efficiently study the absorption spectra of large chemical systems necessitates the development of new algorithms and the use of different architectures. We have developed a highly parallelizable algorithm in order to study excited state properties with ab initio electronic structure theory. This approach has recently been implemented to take advantage of graphical processing units to further improve efficiency."
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