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A deep learning approach for adaptive zoning., , , and . CoRR, (2023)Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models., , , , , , , and . SMC, volume 1690 of Communications in Computer and Information Science, page 3-19. Springer, (2022)Scalable Training of Graph Foundation Models for Atomistic Materials Modeling: A Case Study with HydraGNN., , , , , , , , , and 1 other author(s). CoRR, (2024)DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies., , , , , , , , , and 82 other author(s). CoRR, (2023)Machine Learning for First Principles Calculations of Material Properties for Ferromagnetic Materials., , , and . SMC, volume 1690 of Communications in Computer and Information Science, page 75-86. Springer, (2022)Scalable balanced training of conditional generative adversarial neural networks on image data., , , , and . J. Supercomput., 77 (11): 13358-13384 (2021)DDStore: Distributed Data Store for Scalable Training of Graph Neural Networks on Large Atomistic Modeling Datasets., , , , , , and . SC Workshops, page 941-950. ACM, (2023)MDLoader: A Hybrid Model-driven Data Loader for Distributed Deep Neural Networks Training., , , , and . IPDPS (Workshops), page 1193-1195. IEEE, (2024)Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules., , , , , , and . IPDPS (Workshops), page 1047-1056. IEEE, (2024)Convergence analysis of Anderson-type acceleration of Richardson's iteration.. Numerical Lin. Alg. with Applic., (2019)