Optimized parallelization of boundary integral Poisson-Boltzmann solvers

DOI10.1016/J.CPC.2024.109125MaRDI QIDQ6494088

Xin Yang, Elyssa N. Sliheet, Weihua Geng, Daniel R. Reynolds, Reece Iriye

Publication date: 29 April 2024

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

MPIboundary integralPoisson-BoltzmannGPUtreecodeCOVID-19

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Numerical analysis (65-XX)

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