ML-based Performance Portability for Time-Dependent Density Functional Theory in HPC Environments
2022 IEEE/ACM INTERNATIONAL WORKSHOP ON PERFORMANCE MODELING, BENCHMARKING AND SIMULATION OF HIGH PERFORMANCE COMPUTER SYSTEMS (PMBS)（2022）
关键词
DFT,Bayesian Optimization,transfer learning,HPC,performance portability,autotuning,machine learning,TDDFT
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