Scale-Hopping in Computer Simulations of Polymers
Source abstract
Abstract
Polymer simulations can be performed at many different length scales by using techniques ranging from quantum chemistry to finite element via a hierarchy of coarser and coarser particle or field-based methods. Recent years have seen many efforts to connect simulations at different levels to 1) indirectly predict large-scale properties starting from fundamental models and 2) to accelerate the equilibration at more fundamental levels via the detour of coarse-grained levels. It is the purpose of the present synopsis to review some of the recent methodological advances concerning the systematic and, where available, automatic bridging between different levels of polymer simulation.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Block Copolymer Self-Assembly · Advanced Polymer Synthesis and Characterization · Polymer crystallization and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. 10.1557/mrs2001.3810.1557/mrs2001.38 ↗
2. Binder K. · 199510.1093/oso/9780195094381.001.0001 ↗
3. 10.1016/S1359-0286(98)80023-510.1016/S1359-0286(98)80023-5 ↗
4. 10.1007/3-540-46778-5_210.1007/3-540-46778-5_2 ↗
5. 10.1002/(SICI)1521-4044(199802)49:2/3<61::AID-APOL61>3.0.CO;2-V10.1002/(SICI)1521-4044(199802)49:2/3<61::AID-APOL61>3.0.CO;2-V ↗
6. 10.1002/(SICI)1521-4044(199802)49:2/3<75::AID-APOL75>3.0.CO;2-510.1002/(SICI)1521-4044(199802)49:2/3<75::AID-APOL75>3.0.CO;2-5 ↗
7. 10.1016/S0065-3276(08)60208-710.1016/S0065-3276(08)60208-7 ↗
8. Müller-Plathe F. · 1997 · 500 · 38910.1007/978-94-009-0039-4_11 ↗
9. 10.1063/1.48015610.1063/1.480156 ↗
10. 10.1063/1.48128910.1063/1.481289 ↗
11. 10.1063/1.141549810.1063/1.1415498 ↗
12. 10.1002/047122442110.1002/0471224421 ↗
13. Leach A. R. · 2001
14. 10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C ↗
15. Press W. H. · 1986
16. 10.1002/1521-3919(20010401)10:4<288::AID-MATS288>3.0.CO;2-710.1002/1521-3919(20010401)10:4<288::AID-MATS288>3.0.CO;2-7 ↗
17. 10.1063/1.138579110.1063/1.1385791 ↗
18. 10.1021/ma001499k10.1021/ma001499k ↗
19. 10.1021/ma951362810.1021/ma9513628 ↗
20. 10.1021/ma970297u10.1021/ma970297u ↗
21. 10.1021/ma961287g10.1021/ma961287g ↗
22. Reith D. · 2001
23. Reith D. · J. Chem. Phys.
24. 10.1103/PhysRevA.33.362810.1103/PhysRevA.33.3628 ↗
25. 10.1063/1.47788910.1063/1.477889 ↗
26. 10.1063/1.130854210.1063/1.1308542 ↗
27. 10.1021/jp991733c10.1021/jp991733c ↗
28. 10.1063/1.141545610.1063/1.1415456 ↗
29. 10.1021/ma011309l10.1021/ma011309l ↗
30. 10.1063/1.144510710.1063/1.1445107 ↗
31. 10.1016/0301-0104(95)00357-610.1016/0301-0104(95)00357-6 ↗
32. 10.1088/0953-8984/9/13/00910.1088/0953-8984/9/13/009 ↗
33. 10.1103/PhysRevA.11.219110.1103/PhysRevA.11.2191 ↗
34. Bai D. · 2001 · 177 · 250
35. 10.1103/PhysRevE.52.373010.1103/PhysRevE.52.3730 ↗
36. 10.1063/1.48047610.1063/1.480476 ↗
37. 10.1063/1.134281510.1063/1.1342815 ↗
38. Lyubartsev A. P. · Soft Mater. · 2003 · 1 · 123
39. 10.1021/ma00083a02710.1021/ma00083a027 ↗
40. 10.1063/1.47316210.1063/1.473162 ↗
41. Flory P. J. · 1988
42. 10.1021/ma00187a03010.1021/ma00187a030 ↗
43. 10.1063/1.46182610.1063/1.461826 ↗
44. 10.1021/ma00023a04110.1021/ma00023a041 ↗
45. Binder K.
46. Mattice W. L. · 1994
47. 10.1039/ft995910243510.1039/ft9959102435 ↗
48. Haliloglu T. · Macromolecules · 1998 · 108 · 6898
49. 10.1002/(SICI)1521-3919(19981101)7:6<613::AID-MATS613>3.0.CO;2-I10.1002/(SICI)1521-3919(19981101)7:6<613::AID-MATS613>3.0.CO;2-I ↗
50. 10.1063/1.47973110.1063/1.479731 ↗
51. 10.1063/1.48164010.1063/1.481640 ↗
52. 10.1016/S0032-3861(01)00417-710.1016/S0032-3861(01)00417-7 ↗
53. 10.1016/S0032-3861(01)00430-X10.1016/S0032-3861(01)00430-X ↗
54. 10.1016/S1089-3156(01)00027-710.1016/S1089-3156(01)00027-7 ↗
55. 10.1016/S1089-3156(99)00074-410.1016/S1089-3156(99)00074-4 ↗
56. 10.1021/ma971184d10.1021/ma971184d ↗
57. 10.1021/ma980698p10.1021/ma980698p ↗
58. 10.1016/S1089-3156(00)00011-810.1016/S1089-3156(00)00011-8 ↗
59. 10.1063/1.47990410.1063/1.479904 ↗
60. 10.1063/1.48062710.1063/1.480627 ↗
61. Schmitz H. · 1999
62. 10.1063/1.138516210.1063/1.1385162 ↗
63. 10.1063/1.47478410.1063/1.474784 ↗
64. Español, P. 2002.Dissipative Particle Dynamics Revisited, ESF Simu Programme Newsletter Vol. 4, 59–77.
65. 10.1122/1.55071310.1122/1.550713 ↗
66. 10.1063/1.47630010.1063/1.476300 ↗
67. 10.1063/1.47442010.1063/1.474420 ↗
68. 10.1021/la000010d10.1021/la000010d ↗
69. 10.1002/1521-3919(20001201)9:9<698::AID-MATS698>3.0.CO;2-110.1002/1521-3919(20001201)9:9<698::AID-MATS698>3.0.CO;2-1 ↗
70. Gedde U. W. · 1995
71. Binder K. · Adv. Polym. Sci. · 1994 · 112 · 183
72. 10.1007/3-540-69711-X_110.1007/3-540-69711-X_1 ↗
73. 10.1063/1.136229810.1063/1.1362298 ↗
74. 10.1063/1.47583510.1063/1.475835 ↗
75. 10.1063/1.133704310.1063/1.1337043 ↗
76. 10.1063/1.133074410.1063/1.1330744 ↗
77. 10.1063/1.130851310.1063/1.1308513 ↗
78. 10.1080/0892702021198010.1080/08927020211980 ↗
79. 10.1063/1.134460610.1063/1.1344606 ↗
80. 10.1021/ma980947+10.1021/ma980947+ ↗
81. 10.1063/1.47312910.1063/1.473129 ↗
82. 10.1063/1.47565110.1063/1.475651 ↗
83. 10.1063/1.47636210.1063/1.476362 ↗
84. 10.1063/1.47774210.1063/1.477742 ↗
85. 10.1103/PhysRevE.61.412510.1103/PhysRevE.61.4125 ↗
86. 10.1063/1.47783710.1063/1.477837 ↗
87. 10.1103/PhysRevE.57.R487910.1103/PhysRevE.57.R4879 ↗
88. 10.1063/1.47754310.1063/1.477543 ↗
89. 10.1021/ma011515t10.1021/ma011515t ↗
90. van Krevelen D. W. · 199710.1016/B978-0-444-82877-4.50008-1 ↗
91. Frenkel D. · 2002
92. 10.1080/0892702960802235810.1080/08927029608022358 ↗
93. Doi M. · 1986
94. 10.1016/S0032-3861(01)00422-010.1016/S0032-3861(01)00422-0 ↗
95. 10.1021/ma001678210.1021/ma0016782 ↗
96. 10.1016/S1089-3156(01)00013-710.1016/S1089-3156(01)00013-7 ↗
97. 10.1021/ma000058y10.1021/ma000058y ↗
98. Faller R. · Macromolecules · 2002
99. 10.1016/S0022-5096(97)00016-110.1016/S0022-5096(97)00016-1 ↗
100. 10.1021/ma001979b10.1021/ma001979b ↗