Coupling finite and boundary element methods to solve
the Poisson-Boltzmann equation for electrostatics in
molecular solvation

Michal Bosy; Matthew W. Scroggs; Timo Betcke; Erik Burman; Christopher D. Cooper

doi:10.1002/jcc.27262

Coupling finite and boundary element methods to solve the Poisson-Boltzmann equation for electrostatics in molecular solvation

Michal Bosy, Matthew W. Scroggs, Timo Betcke, Erik Burman, Christopher D. Cooper

Research output: Contribution to journal › Article › peer-review

Original language	English
Journal	Journal of Computational Chemistry
Early online date	21 Dec 2023
DOIs	https://doi.org/10.1002/jcc.27262
Publication status	E-pub ahead of print - 21 Dec 2023

Bibliographical note

Note: This work was supported by Kingston University; EPSRC [EP/W007460/1, EP/W026260/1 and EP/V050400/1]; CCTVal [ANID PIA/APOYO AFB220004]; and Universidad Técnica Federico Santa María [USM 2023 PI-LIR-23-03].

Keywords

Applied mathematics

Access to Document

10.1002/jcc.27262

Bosy-M-54504-AAMAccepted author manuscript, 1.56 MBLicence: Unspecified

https://doi.org/10.1002/jcc.27262

Cite this

@article{3e49899269414cd7aee90dee3ee08af1,

title = "Coupling finite and boundary element methods to solve the Poisson-Boltzmann equation for electrostatics in molecular solvation",

keywords = "Applied mathematics",

author = "Michal Bosy and Scroggs, \{Matthew W.\} and Timo Betcke and Erik Burman and Cooper, \{Christopher D.\}",

note = "Note: This work was supported by Kingston University; EPSRC [EP/W007460/1, EP/W026260/1 and EP/V050400/1]; CCTVal [ANID PIA/APOYO AFB220004]; and Universidad T{\'e}cnica Federico Santa Mar{\'i}a [USM 2023 PI-LIR-23-03].",

year = "2023",

month = dec,

day = "21",

doi = "10.1002/jcc.27262",

language = "English",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "John Wiley \& Sons Inc.",

}

TY - JOUR

T1 - Coupling finite and boundary element methods to solve the Poisson-Boltzmann equation for electrostatics in molecular solvation

AU - Bosy, Michal

AU - Scroggs, Matthew W.

AU - Betcke, Timo

AU - Burman, Erik

AU - Cooper, Christopher D.

N1 - Note: This work was supported by Kingston University; EPSRC [EP/W007460/1, EP/W026260/1 and EP/V050400/1]; CCTVal [ANID PIA/APOYO AFB220004]; and Universidad Técnica Federico Santa María [USM 2023 PI-LIR-23-03].

PY - 2023/12/21

Y1 - 2023/12/21

KW - Applied mathematics

U2 - 10.1002/jcc.27262

DO - 10.1002/jcc.27262

M3 - Article

SN - 0192-8651

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -