A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K

Michael Lass, Robert Schade, Thomas D. Kühne, Christian Plessl. A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K. In Christine Cuicchi, Irene Qualters, William T. Kramer, editors, SC '20: The International Conference for High Performance Computing, Networking, Storage and Analysis, Virtual Event / Atlanta, Georgia, USA, November 9-19, 2020. pages 80, IEEE/ACM, 2020. [doi]

Abstract

Abstract is missing.