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Volumn 1-10, Issue , 2012, Pages 417-460

1.16 - Molecular Dynamics Simulations in Polymer Science: Methods and Main Results

Author keywords

Coarse graining; Field theoretic simulations; First principle simulation; Molecular dynamics; Multiscale modeling; Particle based models; Polymeric materials

Indexed keywords


EID: 84875659455     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1016/B978-0-444-53349-4.00016-9     Document Type: Chapter
Times cited : (21)

References (432)
  • 1
    • 0000595654 scopus 로고
    • May, The Los Alamos Document LA-1940, Los Alamos: Los Alamos Scientific Laboratory
    • E. Fermi, J. Pasta and S. Ulam (May 1955) Studies of Nonlinear Problems. The Los Alamos Document LA-1940, Los Alamos: Los Alamos Scientific Laboratory
    • (1955) Studies of Nonlinear Problems
    • Fermi, E.1    Pasta, J.2    Ulam, S.3
  • 21
    • 84884926480 scopus 로고    scopus 로고
    • J. Grotendorst, N. Attig, S. Blügel, D. Marx (Eds), Jülich, Germany: John von Neumann Institute for Computing
    • G. Sutmann (2009) J. Grotendorst, N. Attig, S. Blügel, D. Marx (Eds) Multiscale Simulation Methods in Molecular Sciences Jülich, Germany: John von Neumann Institute for Computing 1-49.
    • (2009) Multiscale Simulation Methods in Molecular Sciences , pp. 1-49
    • Sutmann, G.1
  • 93
    • 84884917443 scopus 로고    scopus 로고
    • J. Grotendorst, N. Attig, S. Blügel, D. Marx (Eds), Jülich, Germany: John von Neumann Institute for Computing
    • K. Nomura, W. Wang, R.K. Kalia, et al. (2009) J. Grotendorst, N. Attig, S. Blügel, D. Marx (Eds) Multiscale Simulation Methods in Molecular Sciences Jülich, Germany: John von Neumann Institute for Computing 321-336.
    • (2009) Multiscale Simulation Methods in Molecular Sciences , pp. 321-336
    • Nomura, K.1    Wang, W.2    Kalia, R.K.3
  • 94
    • 84884926578 scopus 로고    scopus 로고
    • (accessed 31 December 2010), Copyright MPI für Festkörperforschung Stuttgart 1997–2001
    • CPMD Copyright IBM Corp. 1990–2009. http://www.cpmd.org/ (accessed 31 December 2010) Copyright MPI für Festkörperforschung Stuttgart 1997–2001
    • Copyright IBM Corp. 1990–2009
  • 96
    • 77955309392 scopus 로고    scopus 로고
    • (accessed 31 December 2010)
    • M. Valiev, E.J. Bylaska, N. Govind, et al. (2010) Comput. Phys. Commun. 181 1477. http://www.nwchem-sw.org/index.php/Main_Page/ (accessed 31 December 2010)
    • (2010) Comput. Phys. Commun. , vol.181 , pp. 1477
    • Valiev, M.1    Bylaska, E.J.2    Govind, N.3
  • 98
    • 85147069246 scopus 로고    scopus 로고
    • (accessed 31 December 2010), The ABINIT code
    • http://www.abinit.org/ (accessed 31 December 2010) The ABINIT code
  • 99
    • 33749049543 scopus 로고    scopus 로고
    • (accessed 31 December 2010), Conference Series.Qbox: A scalable implementation of first-principles molecular dynamics
    • F. Gygi (2006) J. Phys. 46 268-277. http://eslab.ucdavis.edu/ (accessed 31 December 2010) Conference Series.Qbox: A scalable implementation of first-principles molecular dynamics
    • (2006) J. Phys. , vol.46 , pp. 268-277
    • Gygi, F.1
  • 106
  • 114
    • 84872322607 scopus 로고    scopus 로고
    • P.D. Gujrati, A.L. Leonov (Eds), Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA
    • P. Ilg, V. Mavrantzas and H.C. Öttinger (2010) P.D. Gujrati, A.L. Leonov (Eds) Modeling and Simulations in Polymers Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA 343-384.
    • (2010) Modeling and Simulations in Polymers , pp. 343-384
    • Ilg, P.1    Mavrantzas, V.2    Öttinger, H.C.3
  • 129
    • 85147084344 scopus 로고    scopus 로고
    • (accessed 31 December 2010), LAMMPS Molecular Dynamics Simulator
    • http://lammps.sandia.gov/ (accessed 31 December 2010) LAMMPS Molecular Dynamics Simulator
  • 130
    • 27344436659 scopus 로고    scopus 로고
    • (accessed 31 December 2010)
    • J.C. Phillips, R. Braun, W. Wang, et al. (2005) J. Comput. Chem. 26 1781. http://www.ks.uiuc.edu/Research/namd/ (accessed 31 December 2010)
    • (2005) J. Comput. Chem. , vol.26 , pp. 1781
    • Phillips, J.C.1    Braun, R.2    Wang, W.3
  • 131
  • 133
    • 0030175155 scopus 로고    scopus 로고
    • (accessed 31 December 2010)
    • W. Smith and T.R. Forester (1996) J. Mol. Graphics 14 136-141. http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/ (accessed 31 December 2010)
    • (1996) J. Mol. Graphics , vol.14 , pp. 136-141
    • Smith, W.1    Forester, T.R.2
  • 214
    • 0001765873 scopus 로고
    • L. Lucy (1977) Astron. J. 82 1013-1024.
    • (1977) Astron. J. , vol.82 , pp. 1013-1024
    • Lucy, L.1
  • 231
  • 255
  • 288
    • 84884921465 scopus 로고    scopus 로고
    • Theory and simulation of multiphase polymer systems
    • A. Boudenne, L. Ibos, Y. Candau, S. Thomas (Eds), Chicester, USA: Wiley-Blackwell; John Wiley & Sons, Chapter 3
    • F. Schmid (2010) Theory and simulation of multiphase polymer systems. A. Boudenne, L. Ibos, Y. Candau, S. Thomas (Eds) Handbook of Multiphase Polymer Systems Chicester, USA: Wiley-Blackwell; John Wiley & Sons 1064. Chapter 3
    • (2010) Handbook of Multiphase Polymer Systems , pp. 1064
    • Schmid, F.1
  • 313
    • 0003974931 scopus 로고    scopus 로고
    • J. Grotendorst (Eds), Jülich, Germany: John von Neumann Institute for Computing, NIC Series
    • P. Sherwood (2000) J. Grotendorst (Eds) Modern Methods and Algorithms of Quantum Chemistry Vol. 1 Jülich, Germany: John von Neumann Institute for Computing 257-277. NIC Series
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 257-277
    • Sherwood, P.1
  • 348
    • 84863322121 scopus 로고    scopus 로고
    • P.D. Gujrati, A.I. Leonov (Eds), Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA
    • M. Müller (2010) P.D. Gujrati, A.I. Leonov (Eds) Modeling and Simulation in Polymers Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA 197-246.
    • (2010) Modeling and Simulation in Polymers , pp. 197-246
    • Müller, M.1
  • 362
    • 85147070123 scopus 로고    scopus 로고
    • V.V. Bulatov, W. Cai (Eds), New York, NY: Oxford Series on Materials Modeling; Oxford University Press
    • V.V. Bulatov and W. Cai (2006) V.V. Bulatov, W. Cai (Eds) Computer Simulations of Dislocations New York, NY: Oxford Series on Materials Modeling; Oxford University Press 284.
    • (2006) Computer Simulations of Dislocations , pp. 284
    • Bulatov, V.V.1    Cai, W.2
  • 426


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