Friedrich, Manuel; Mainini, Edoardo; Piovano, Paolo; Stefanelli, Ulisse Characterization of optimal carbon nanotubes under stretching and validation of the Cauchy-Born rule. (English) Zbl 1419.74056 Arch. Ration. Mech. Anal. 231, No. 1, 465-517 (2019). MSC: 74A60 82D80 PDFBibTeX XMLCite \textit{M. Friedrich} et al., Arch. Ration. Mech. Anal. 231, No. 1, 465--517 (2019; Zbl 1419.74056) Full Text: DOI arXiv
Mainini, Edoardo; Murakawa, H.; Piovano, Paolo; Stefanelli, Ulisse Carbon-nanotube geometries as optimal configurations. (English) Zbl 1394.82028 Multiscale Model. Simul. 15, No. 4, 1448-1471 (2017). Reviewer: Yulianna Perepelkina (Moskva) MSC: 82D80 82D25 PDFBibTeX XMLCite \textit{E. Mainini} et al., Multiscale Model. Simul. 15, No. 4, 1448--1471 (2017; Zbl 1394.82028) Full Text: DOI
Stefanelli, Ulisse Stable carbon configurations. (English) Zbl 1380.82052 Boll. Unione Mat. Ital. 10, No. 3, 335-354 (2017). MSC: 82D25 82D80 PDFBibTeX XMLCite \textit{U. Stefanelli}, Boll. Unione Mat. Ital. 10, No. 3, 335--354 (2017; Zbl 1380.82052) Full Text: DOI
Sun, Kwang Woong; Ambrosia, Matthew Stanley; Kwon, Tae Woo; Ha, Man Yeong A hydrophobicity study on wavy and orthogonal textured surfaces. (English) Zbl 1390.76034 Comput. Fluids 140, 347-356 (2016). MSC: 76A20 76Z05 76-04 65Y15 82D80 PDFBibTeX XMLCite \textit{K. W. Sun} et al., Comput. Fluids 140, 347--356 (2016; Zbl 1390.76034) Full Text: DOI
Friedrich, Manuel; Piovano, Paolo; Stefanelli, Ulisse The geometry of \(C_{60}\): a rigorous approach via molecular mechanics. (English) Zbl 1353.82072 SIAM J. Appl. Math. 76, No. 5, 2009-2029 (2016). Reviewer: Yulianna Perepelkina (Moskva) MSC: 82D25 82D80 PDFBibTeX XMLCite \textit{M. Friedrich} et al., SIAM J. Appl. Math. 76, No. 5, 2009--2029 (2016; Zbl 1353.82072) Full Text: DOI arXiv
Harris, Robert C.; Mackoy, Travis; Fenley, Marcia O. A stochastic solver of the generalized Born model. (English) Zbl 1278.82072 Mol. Based Math. Biol. 1, 63-74 (2013). MSC: 82D60 92D20 78A30 35Q20 PDFBibTeX XMLCite \textit{R. C. Harris} et al., Mol. Based Math. Biol. 1, 63--74 (2013; Zbl 1278.82072) Full Text: DOI
Gunaratne, Ajith; Wu, Zhijun A penalty function method for constrained molecular dynamics simulation. (English) Zbl 1264.82005 Int. J. Numer. Anal. Model. 8, No. 3, 496-517 (2011). MSC: 82-08 90C90 82D60 PDFBibTeX XMLCite \textit{A. Gunaratne} and \textit{Z. Wu}, Int. J. Numer. Anal. Model. 8, No. 3, 496--517 (2011; Zbl 1264.82005) Full Text: Link
Yokota, Rio; Bardhan, Jaydeep P.; Knepley, Matthew G.; Barba, L. A.; Hamada, Tsuyoshi Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns. (English) Zbl 1259.78044 Comput. Phys. Commun. 182, No. 6, 1272-1283 (2011). MSC: 78M16 78M15 78-04 82D60 PDFBibTeX XMLCite \textit{R. Yokota} et al., Comput. Phys. Commun. 182, No. 6, 1272--1283 (2011; Zbl 1259.78044) Full Text: DOI arXiv
Vaitheeswaran, S.; Chen, Jie; Thirumalai, D. Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins. (English) Zbl 1233.82054 J. Stat. Phys. 145, No. 2, 276-292 (2011). MSC: 82D60 PDFBibTeX XMLCite \textit{S. Vaitheeswaran} et al., J. Stat. Phys. 145, No. 2, 276--292 (2011; Zbl 1233.82054) Full Text: DOI arXiv
Skouteris, Dimitris; Gervasi, Osvaldo; Laganà, Antonio A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: a nanotube application. (English) Zbl 1198.81043 Comput. Phys. Commun. 180, No. 3, 459-465 (2009). MSC: 81-08 82D80 PDFBibTeX XMLCite \textit{D. Skouteris} et al., Comput. Phys. Commun. 180, No. 3, 459--465 (2009; Zbl 1198.81043) Full Text: DOI
Liu, L. Angela; Bader, Joel S. Decoding transcriptional regulatory interactions. (English) Zbl 1102.92023 Physica D 224, No. 1-2, 174-181 (2006). MSC: 92C40 92C05 92-08 82D99 PDFBibTeX XMLCite \textit{L. A. Liu} and \textit{J. S. Bader}, Physica D 224, No. 1--2, 174--181 (2006; Zbl 1102.92023) Full Text: DOI Link
Barth, Eric; Leimkuhler, Ben; Sweet, Chris Approach to thermal equilibrium in biomolecular simulation. (English) Zbl 1094.92004 Leimkuhler, Benedict (ed.) et al., New algorithms for macromolecular simulation. Selected papers based on the presentation at 4th international symposium, Leicester, UK, August 18–21, 2004. Berlin: Springer (ISBN 3-540-25542-7/pbk). Lecture Notes in Computational Science and Engineering 49, 125-140 (2006). MSC: 92C05 82D99 92C40 92-08 PDFBibTeX XMLCite \textit{E. Barth} et al., Lect. Notes Comput. Sci. Eng. 49, 125--140 (2006; Zbl 1094.92004)
Gale, Julian D.; Rohl, Andrew L. The general utility lattice program (GULP). (English) Zbl 1047.81583 Mol. Simul. 29, No. 5, 291-341 (2003). MSC: 81V70 82D20 81-08 82-08 81V55 PDFBibTeX XMLCite \textit{J. D. Gale} and \textit{A. L. Rohl}, Mol. Simul. 29, No. 5, 291--341 (2003; Zbl 1047.81583) Full Text: DOI