A domain decomposition method for the polarizable continuum model based on the solvent excluded surface

DOI10.1142/S0218202518500331zbMath1393.65054OpenAlexW2792193584MaRDI QIDQ4569323

Chaoyu Quan, Benjamin Stamm, Yvon Maday

Publication date: 28 June 2018

Published in: Mathematical Models and Methods in Applied Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/s0218202518500331

zbMATH Keywords

domain decomposition methodpolarizable continuum modelsolvent excluded surface

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Spectral, collocation and related methods for boundary value problems involving PDEs (65N35) PDEs in connection with optics and electromagnetic theory (35Q60) Iterative numerical methods for linear systems (65F10) Suspensions (76T20) Electro- and magnetostatics (78A30)

Related Items

On the scalability of the Schwarz method, A Domain Decomposition Method for the Poisson--Boltzmann Solvation Models, Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018

Uses Software

• APBS
• PDB2PQR
• ESES
• DelPhi

Cites Work

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