메뉴 건너뛰기




Volumn 38, Issue 4, 2004, Pages 242-249

A graduate course on multi-scale modeling of soft matter

Author keywords

[No Author keywords available]

Indexed keywords

COLLOIDAL SYSTEMS; INTERMOLECULAR INTERACTIONS; SIMULATION ALGORITHMS; SOFT MATTER;

EID: 9744283421     PISSN: 00092479     EISSN: None     Source Type: Trade Journal    
DOI: None     Document Type: Article
Times cited : (6)

References (29)
  • 3
    • 84862476560 scopus 로고    scopus 로고
    • 12 floating point operations per second.
  • 4
    • 0036987212 scopus 로고    scopus 로고
    • Molecular simulations in chemical engineering: Present and future
    • de Pablo, J.J., and F. A. Escobedo, "Molecular Simulations in Chemical Engineering: Present and Future," AIChE J., 48, 2716 (2002)
    • (2002) AIChE J. , vol.48 , pp. 2716
    • De Pablo, J.J.1    Escobedo, F.A.2
  • 5
    • 9744242252 scopus 로고    scopus 로고
    • Multi-scale molecular modeling of chemical reactivity
    • in press
    • Santiso, E.E., and K. E. Gubbins, "Multi-Scale Molecular Modeling of Chemical Reactivity," Mol. Simul, in press (2004)
    • (2004) Mol. Simul
    • Santiso, E.E.1    Gubbins, K.E.2
  • 6
    • 0034031855 scopus 로고    scopus 로고
    • Multiscale modeling of hard materials: Challenges and opportunities for chemical engineers
    • Maraudas, D., "Multiscale Modeling of Hard Materials: Challenges and Opportunities for Chemical Engineers," AIChE J., 46, 878 (2000)
    • (2000) AIChE J. , vol.46 , pp. 878
    • Maraudas, D.1
  • 7
    • 0036039855 scopus 로고    scopus 로고
    • Molecular and mesoscale simulation methods for polymer materials
    • Glotzer, S.C., and W. Paul, "Molecular and Mesoscale Simulation Methods for Polymer Materials," Annu, Rev. Mater. Res., 32, 401 (2002)
    • (2002) Annu. Rev. Mater. Res. , vol.32 , pp. 401
    • Glotzer, S.C.1    Paul, W.2
  • 9
    • 0003653899 scopus 로고    scopus 로고
    • Prentice-Hall, Harlow
    • nd Ed., Prentice-Hall, Harlow (2001)
    • (2001) nd Ed.
    • Leach, A.R.1
  • 17
  • 18
    • 0001155144 scopus 로고    scopus 로고
    • On the equivalence of continuum and lattice models for fluids
    • Panagiotopoulos, A.Z., "On the Equivalence of Continuum and Lattice Models for Fluids," J. Chem. Phys., 112, 7132 (2000)
    • (2000) J. Chem. Phys. , vol.112 , pp. 7132
    • Panagiotopoulos, A.Z.1
  • 19
    • 0035936305 scopus 로고    scopus 로고
    • Density functional calculations on the structure of crystalline polyethylene at high temperatures
    • Miao, M.S., M.L. Zhang, V.-E. van Doren, C. van Alsenoy and J.L. Martins, "Density Functional Calculations on the Structure of Crystalline Polyethylene at High Temperatures,"J. Chem. Phys., 115, 11317 (2001)
    • (2001) J. Chem. Phys. , vol.115 , pp. 11317
    • Miao, M.S.1    Zhang, M.L.2    Van Doren, V.-E.3    Van Alsenoy, C.4    Martins, J.L.5
  • 20
    • 0542371344 scopus 로고    scopus 로고
    • Thermal expansion of polymers: Mechanisms in orthorhombic polyethylene
    • Bruno, J.A.O., N.L. Allan, T.H.K. Barron, and A.D. Turner, "Thermal Expansion of Polymers: Mechanisms in Orthorhombic Polyethylene," Phys. Rev. B, 58, 8416 (1998)
    • (1998) Phys. Rev. B , vol.58 , pp. 8416
    • Bruno, J.A.O.1    Allan, N.L.2    Barron, T.H.K.3    Turner, A.D.4
  • 21
    • 0242509821 scopus 로고    scopus 로고
    • Density functional calculation of a potential energy surface for alkane thiols on Au(111) as function of alkane chain length
    • Franzen, S., "Density Functional Calculation of a Potential Energy Surface for Alkane Thiols on Au(111) as Function of Alkane Chain Length," Chem. Phys. Lett., 381, 315 (2003)
    • (2003) Chem. Phys. Lett. , vol.381 , pp. 315
    • Franzen, S.1
  • 22
    • 0141843658 scopus 로고    scopus 로고
    • Density functional study of Ni bulk, surfaces and the adsorbate systems Ni(111)(√3 x √3)R30°-C1, and Ni(111)(2x2)-K
    • Doll, K., "Density Functional Study of Ni Bulk, Surfaces and the Adsorbate Systems Ni(111)(√3 x √3)R30°-C1, and Ni(111)(2x2)-K,", Surf. Sci., 544, 103 (2003)
    • (2003) Surf. Sci. , vol.544 , pp. 103
    • Doll, K.1
  • 23
    • 0038072976 scopus 로고    scopus 로고
    • A comparative study of CO chemisorption on flat and stepped Ni surfaces using density functional theory
    • Shah, V., T. Li, K.L. Baumert, H.S. Cheng, and D.S. Sholl, "A Comparative Study of CO Chemisorption on Flat and Stepped Ni Surfaces Using Density Functional Theory," Surf. Sci., 537, 217 (2003)
    • (2003) Surf. Sci. , vol.537 , pp. 217
    • Shah, V.1    Li, T.2    Baumert, K.L.3    Cheng, H.S.4    Sholl, D.S.5
  • 24
    • 0001351193 scopus 로고
    • Reactive canonical Monte Carlo: A new simulation technique for reacting or associating fluids
    • Johnson, J.K., A.Z. Panagiotopoulos, and K.E. Gubbins, "Reactive Canonical Monte Carlo: A New Simulation Technique for Reacting or Associating Fluids," Mol. Phys., 81, 717 (1994)
    • (1994) Mol. Phys. , vol.81 , pp. 717
    • Johnson, J.K.1    Panagiotopoulos, A.Z.2    Gubbins, K.E.3
  • 26
    • 0342567858 scopus 로고    scopus 로고
    • Synthesis and evaluation of the physicochemical properties of esterase-sensitive cyclic prodrugs of opioid peptides using coumarinic acid and phenylpropionic acid linkers
    • Wang, B., K. Nimkar, W. Wang, H. Zhang, D. Shan, O. Gudmundsson, S. Gangwar, T. Siahaan, and R. T. Borchardt, "Synthesis and Evaluation of the Physicochemical Properties of Esterase-Sensitive Cyclic Prodrugs of Opioid Peptides Using Coumarinic Acid and Phenylpropionic Acid Linkers," J. Pept. Res., 53, 370 (1999)
    • (1999) J. Pept. Res. , vol.53 , pp. 370
    • Wang, B.1    Nimkar, K.2    Wang, W.3    Zhang, H.4    Shan, D.5    Gudmundsson, O.6    Gangwar, S.7    Siahaan, T.8    Borchardt, R.T.9
  • 27
    • 0037460247 scopus 로고    scopus 로고
    • Hydration structure of met-enkephalin: A molecular dynamics study
    • Dudowicz, J., K.P. Freed, and M. Y. Shen, "Hydration Structure of Met-Enkephalin: A Molecular Dynamics Study," J. Chem. Phys., 118, 1989 (2003)
    • (2003) J. Chem. Phys. , vol.118 , pp. 1989
    • Dudowicz, J.1    Freed, K.P.2    Shen, M.Y.3
  • 28
    • 0030972502 scopus 로고    scopus 로고
    • Molecular dynamics simulations of leu-enkephalin in water and DMSO
    • van der Spoel, D., and H.J.C. Berendsen, "Molecular Dynamics Simulations of Leu-Enkephalin in Water and DMSO," Biophys. J., 72, 2032 (1997)
    • (1997) Biophys. J. , vol.72 , pp. 2032
    • Van Der Spoel, D.1    Berendsen, H.J.C.2
  • 29
    • 0038778497 scopus 로고    scopus 로고
    • Nanosecond temperature jump relaxation dynamics of cyclic β-hairpin peptides
    • Maness, S.J., S. Franzen, A.C. Gibbs, T.P. Causgrove and R.B. Dyer, "Nanosecond Temperature Jump Relaxation Dynamics of Cyclic β-Hairpin Peptides," Biophys. J., 84, 3874 (2003)
    • (2003) Biophys. J. , vol.84 , pp. 3874
    • Maness, S.J.1    Franzen, S.2    Gibbs, A.C.3    Causgrove, T.P.4    Dyer, R.B.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.