-
1
-
-
33749672504
-
Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations
-
DOI 10.1021/ma0606399
-
V. A. Harmandaris, N. P. Adhikari, N. F. A. van der Vegt, and K. Kremer, Macromolecules 39, 6708 (2006). 10.1021/ma0606399 (Pubitemid 44555117)
-
(2006)
Macromolecules
, vol.39
, Issue.19
, pp. 6708-6719
-
-
Harmandaris, V.A.1
Adhikari, N.P.2
Van Der Vegt, N.F.A.3
Kremer, K.4
-
2
-
-
37149036449
-
Comparison between coarse-graining models for polymer systems: Two mapping schemes for polystyrene
-
DOI 10.1002/macp.200700245
-
V. A. Harmandaris, D. Reith, N. F. A. Van der Vegt, and K. Kremer, Macromol. Chem. Phys. 208, 2109 (2007). 10.1002/macp.200700245 (Pubitemid 350253797)
-
(2007)
Macromolecular Chemistry and Physics
, vol.208
, Issue.19-20
, pp. 2109-2120
-
-
Harmandaris, V.A.1
Reith, D.2
Van Der Vegt, N.F.A.3
Kremer, K.4
-
5
-
-
41149141988
-
Classical simulations from the atomistic to the mesoscale and back: Coarse graining an azobenzene liquid crystal
-
DOI 10.1039/b717324e
-
C. Peter, L. Delle Site, and K. Kremer, Soft Matter 4, 859 (2008). 10.1039/b717324e (Pubitemid 351434094)
-
(2008)
Soft Matter
, vol.4
, Issue.4
, pp. 859-869
-
-
Peter, C.1
Delle Site, L.2
Kremer, K.3
-
8
-
-
43049121037
-
Theoretical models for bridging timescales in polymer dynamics
-
DOI 10.1088/0953-8984/20/03/033101, PII S0953898408361311
-
M. G. Guenza, J. Phys.: Condens. Matter 20, 033101 (2008). 10.1088/0953-8984/20/03/033101 (Pubitemid 351622739)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.3
, pp. 033101
-
-
Guenza, M.G.1
-
10
-
-
30244472523
-
-
10.1103/PhysRevA.5.939
-
L. Verlet and J. J. Weis, Phys. Rev. A 5, 939 (1972). 10.1103/PhysRevA.5.939
-
(1972)
Phys. Rev. A
, vol.5
, pp. 939
-
-
Verlet, L.1
Weis, J.J.2
-
15
-
-
34047137221
-
Optimized theory for simple and molecular fluids
-
DOI 10.1063/1.2711205
-
M. Marucho and B. M. Pettitt, J. Chem. Phys. 126, 124107 (2007). 10.1063/1.2711205 (Pubitemid 46517120)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.12
, pp. 124107
-
-
Marucho, M.1
Pettitt, B.M.2
-
21
-
-
0029250472
-
-
10.1021/ma00109a026
-
K. S. Schweizer, E. F. David, C. Singh, J. G. Curro, and J. J. Rajasekaran, Macromolecules 28, 1528 (1995). 10.1021/ma00109a026
-
(1995)
Macromolecules
, vol.28
, pp. 1528
-
-
Schweizer, K.S.1
David, E.F.2
Singh, C.3
Curro, J.G.4
Rajasekaran, J.J.5
-
22
-
-
33846049842
-
Integral equation theory for atactic polystyrene melt with a coarse-grained model
-
DOI 10.1063/1.2038891, 124905
-
L. Zhao, Y. G. Li, J. G. Mi, and C. L. Zhong, J. Chem. Phys. 123, 124905 (2005). 10.1063/1.2038891 (Pubitemid 41407816)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.12
, pp. 1-8
-
-
Zhao, L.1
Li, Y.-G.2
Mi, J.3
Zhong, C.4
-
24
-
-
0036536561
-
Structure of colloid-polymer suspensions
-
DOI 10.1088/0953-8984/14/12/201, PII S095389840229829X
-
M. Fuchs and K. S. Schweizer, J. Phys.: Condens. Matter 14, R239 (2002). 10.1088/0953-8984/14/12/201 (Pubitemid 34307800)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.12
-
-
Fuchs, M.1
Schweizer, K.S.2
-
25
-
-
33845760845
-
Analytical coarse-grained description for polymer melts
-
DOI 10.1063/1.2404669
-
E. J. Sambriski, G. Yatsenko, M. A. Nemirovskaya, and M. G. Guenza, J. Chem. Phys. 125, 234902 (2006). 10.1063/1.2404669 (Pubitemid 46013660)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.23
, pp. 234902
-
-
Sambriski, E.J.1
Yatsenko, G.2
Nemirovskaya, M.A.3
Guenza, M.G.4
-
29
-
-
33244455636
-
Mesoscale modeling of complex binary fluid mixtures: Towards an atomistic foundation of effective potentials
-
DOI 10.1063/1.2161207
-
J. R. Silbermann, S. H. L. Klapp, M. Schoen, N. Chennamsetty, H. Bock, and K. E. Gubbins, J. Chem. Phys. 124, 074105 (2006). 10.1063/1.2161207 (Pubitemid 43278106)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.7
, pp. 074105
-
-
Silbermann, J.R.1
Klapp, S.H.L.2
Schoen, M.3
Chennamsetty, N.4
Bock, H.5
Gubbins, K.E.6
-
30
-
-
0035510110
-
-
10.1103/PhysRevE.64.050401
-
S. H. Behrens and D. G. Grier, Phys. Rev. E 64, 050401 (2001). 10.1103/PhysRevE.64.050401
-
(2001)
Phys. Rev. e
, vol.64
, pp. 050401
-
-
Behrens, S.H.1
Grier, D.G.2
-
31
-
-
0037062359
-
-
10.1209/epl/i2002-00105-4
-
M. Brunner, C. Bechinger, W. Strepp, V. Lobaskin, and H. H. von Grunberg, EPL 58, 926 (2002). 10.1209/epl/i2002-00105-4
-
(2002)
EPL
, vol.58
, pp. 926
-
-
Brunner, M.1
Bechinger, C.2
Strepp, W.3
Lobaskin, V.4
Von Grunberg, H.H.5
-
33
-
-
37149015980
-
Vapor - Liquid equilibrium of ethanol by molecular dynamics simulation and voronoi tessellation
-
DOI 10.1021/jp075414u
-
J. T. Fern, D. J. Keffer, and W. V. Steele, J. Phys. Chem. B 111, 13278 (2007). 10.1021/jp075414u (Pubitemid 350254034)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.46
, pp. 13278-13286
-
-
Fern, J.T.1
Keffer, D.J.2
Steele, W.V.3
-
34
-
-
33748566805
-
A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric-isothermal ensemble
-
DOI 10.1080/08927020600684345, PII U7715571714036RV
-
D. J. Keffer, C. Baig, P. Adhangale, and B. J. Edwards, Mol. Simul. 32, 345 (2006). 10.1080/08927020600684345 (Pubitemid 44371345)
-
(2006)
Molecular Simulation
, vol.32
, Issue.5
, pp. 345-356
-
-
Keffer, D.J.1
Baig, C.2
Adhangale, P.3
Edwards, B.J.4
|