Wavelet BEM on molecular surfaces: solvent excluded surfaces

DOI10.1007/s00607-011-0147-yzbMath1225.92065OpenAlexW2075542272MaRDI QIDQ644877

Helmut Harbrecht, H. Maharavo Randrianarivony

Publication date: 7 November 2011

Published in: Computing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00607-011-0147-y

zbMATH Keywords

waveletsboundary element methodquantum chemistrygeometric modeling

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Numerical methods for integral equations (65R20) Numerical methods for wavelets (65T60) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Boundary element methods for boundary value problems involving PDEs (65N38)

Related Items (5)

A fast direct solver for nonlocal operators in wavelet coordinates ⋮ A domain decomposition method for the polarizable continuum model based on the solvent excluded surface ⋮ Efficient Solution of Two-Dimensional Wave Propagation Problems by CQ-Wavelet BEM: Algorithm and Applications ⋮ Comparison of fast boundary element methods on parametric surfaces ⋮ Preconditioning of wavelet BEM by the incomplete Cholesky factorization

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