Jiang, Xi Zhuo; Feng, Muye; Luo, Kai H.; Ventikos, Yiannis Large-scale molecular dynamics simulation of flow under complex structure of endothelial glycocalyx. (English) Zbl 1410.76481 Comput. Fluids 173, 140-146 (2018). MSC: 76Z05 92C35 PDFBibTeX XMLCite \textit{X. Z. Jiang} et al., Comput. Fluids 173, 140--146 (2018; Zbl 1410.76481) Full Text: DOI
Bailey, A. G.; Lowe, C. P.; Sutton, A. P. Efficient constraint dynamics using MILC SHAKE. (English) Zbl 1345.37085 J. Comput. Phys. 227, No. 20, 8949-8959 (2008). MSC: 37M05 65K10 PDFBibTeX XMLCite \textit{A. G. Bailey} et al., J. Comput. Phys. 227, No. 20, 8949--8959 (2008; Zbl 1345.37085) Full Text: DOI
Han, Guowen; Deng, Yuefan; Glimm, James; Martyna, Glenn Error and timing analysis of multiple time-step integration methods for molecular dynamics. (English) Zbl 1196.82050 Comput. Phys. Commun. 176, No. 4, 271-291 (2007). MSC: 82-08 PDFBibTeX XMLCite \textit{G. Han} et al., Comput. Phys. Commun. 176, No. 4, 271--291 (2007; Zbl 1196.82050) Full Text: DOI
Skeel, Robert D.; Hardy, David J.; Phillips, James C. Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations. (English) Zbl 1126.82014 J. Comput. Phys. 225, No. 1, 1-5 (2007). Reviewer: Guy Jumarie (Montréal) MSC: 82B80 81V55 PDFBibTeX XMLCite \textit{R. D. Skeel} et al., J. Comput. Phys. 225, No. 1, 1--5 (2007; Zbl 1126.82014) Full Text: DOI Link
Berendsen, Herman J. C. Simulating the physical world. Hierarchical modeling from quantum mechanics to fluid dynamics. (English) Zbl 1134.00009 Cambridge: Cambridge University Press (ISBN 978-0-521-83527-5/hbk). xxvii, 596 p. (2007). Reviewer: Claudia-Veronika Meister (Potsdam) MSC: 00A79 76-02 81-02 78-02 80-02 82-02 PDFBibTeX XMLCite \textit{H. J. C. Berendsen}, Simulating the physical world. Hierarchical modeling from quantum mechanics to fluid dynamics. Cambridge: Cambridge University Press (2007; Zbl 1134.00009)
Gonnet, Pedro P-SHAKE: a quadratically convergent SHAKE in \(O(n^2)\). (English) Zbl 1111.82002 J. Comput. Phys. 220, No. 2, 740-750 (2007). Reviewer: Claudia Simionescu-Badea (Wien) MSC: 82-08 PDFBibTeX XMLCite \textit{P. Gonnet}, J. Comput. Phys. 220, No. 2, 740--750 (2007; Zbl 1111.82002) Full Text: DOI
Lee, Sang-Ho; Palmo, Kim; Krimm, Samuel WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates. (English) Zbl 1114.92080 J. Comput. Phys. 210, No. 1, 171-182 (2005). Reviewer: Andrzej Frydryszak (Wrocław) MSC: 92E10 81V55 PDFBibTeX XMLCite \textit{S.-H. Lee} et al., J. Comput. Phys. 210, No. 1, 171--182 (2005; Zbl 1114.92080) Full Text: DOI
Ma, Qun; Izaguirre, Jesús A.; Skeel, Robert D. Verlet-I/R-RESPA/Impulse is limited by nonlinear instabilities. (English) Zbl 1163.65317 SIAM J. Sci. Comput. 24, No. 6, 1951-1973 (2003). MSC: 65L05 PDFBibTeX XMLCite \textit{Q. Ma} et al., SIAM J. Sci. Comput. 24, No. 6, 1951--1973 (2003; Zbl 1163.65317) Full Text: DOI