High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight
Wei Hu, Xinming Qin, Qingcai Jiang, Junshi Chen, Hong An, Weile Jia, Fang Li, Xin Liu, Dexun Chen, Fangfang Liu, Yuwen Zhao, Jinlong Yang
Topics & Concepts
SupercomputerParallel computingMassively parallelComputer scienceComputational scienceGraphene research and applicationsPhysics of Superconductivity and MagnetismMachine Learning in Materials Science