Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals - researchr publication

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Sagarmoy Mandal, Ritama Kar, Tobias Klöffel, Bernd Meyer 0013, Nisanth N. Nair. Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals. Journal of Computational Chemistry, 43(9):588-597, 2022. [doi]

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