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Fukuda, Ikuo (2013) Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system. The Journal of Chemical Physics, 139 (17). 174107pp. doi:10.1063/1.4827055

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Reference TypeJournal (article/letter/editorial)
TitleZero-multipole summation method for efficiently estimating electrostatic interactions in molecular system
JournalThe Journal of Chemical Physics
AuthorsFukuda, IkuoAuthor
Year2013 (November 7)Volume139
Issue17
PublisherAIP Publishing
DOIdoi:10.1063/1.4827055Search in ResearchGate
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Mindat Ref. ID2363593Long-form Identifiermindat:1:5:2363593:3
GUID0
Full ReferenceFukuda, Ikuo (2013) Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system. The Journal of Chemical Physics, 139 (17). 174107pp. doi:10.1063/1.4827055
Plain TextFukuda, Ikuo (2013) Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system. The Journal of Chemical Physics, 139 (17). 174107pp. doi:10.1063/1.4827055
In(2013, November) The Journal of Chemical Physics Vol. 139 (17) AIP Publishing

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Fukuda, Ikuo, Kamiya, Narutoshi, Nakamura, Haruki (2014) The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: Analysis of the accuracy and application to liquid systems. The Journal of Chemical Physics, 140 (19). 194307pp. doi:10.1063/1.4875693
Fukuda, Ikuo, Moritsugu, Kei, Higo, Junichi, Fukunishi, Yoshifumi (2023) A cutoff-based method with charge-distribution-data driven pair potentials for efficiently estimating electrostatic interactions in molecular systems. The Journal of Chemical Physics, 159 (23) doi:10.1063/5.0172270
Fukuda, Ikuo, Yonezawa, Yasushige, Nakamura, Haruki (2011) Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle. The Journal of Chemical Physics, 134 (16). 164107pp. doi:10.1063/1.3582791
Sakuraba, Shun, Fukuda, Ikuo (2018) Performance evaluation of the zero-multipole summation method in modern molecular dynamics software. Journal of Computational Chemistry, 39 (20). 1551-1560 doi:10.1002/jcc.25228
Fukuda, Ikuo, Kamiya, Narutoshi, Yonezawa, Yasushige, Nakamura, Haruki (2012) Simple and accurate scheme to compute electrostatic interaction: Zero-dipole summation technique for molecular system and application to bulk water. The Journal of Chemical Physics, 137 (5). 54314pp. doi:10.1063/1.4739789
Kamiya, Narutoshi, Fukuda, Ikuo, Nakamura, Haruki (2013) Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system. Chemical Physics Letters, 568. 26-32 doi:10.1016/j.cplett.2013.03.014
Wang, Han, Nakamura, Haruki, Fukuda, Ikuo (2016) A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system. The Journal of Chemical Physics, 144 (11). 114503pp. doi:10.1063/1.4943956
Aguado, Andrés, Madden, Paul A. (2003) Ewald summation of electrostatic multipole interactions up to the quadrupolar level. The Journal of Chemical Physics, 119 (14). 7471-7483 doi:10.1063/1.1605941
Pauschenwein, Gernot J., Kahl, Gerhard (2008) Zero temperature phase diagram of the square-shoulder system. The Journal of Chemical Physics, 129 (17). 174107pp. doi:10.1063/1.3006065
Niedermeier, Christoph, Tavan, Paul (1994) A structure adapted multipole method for electrostatic interactions in protein dynamics. The Journal of Chemical Physics, 101 (1). 734-748 doi:10.1063/1.468129
Philpott, Michael R., Mahan, Gerald D. (1973) Planewise summation of point multipole‐multipole interactions. The Journal of Chemical Physics, 59 (1) 445-446 doi:10.1063/1.1679825
 
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