28. Bhatta RS, Yimer YY, Tsige M, Perry DS (2012) Comput Theor Chem 995:36
29. Tsuzuki S, Honda K, Azumi R (2002) J Am Chem Soc 124(41):12200
30. Bhatta RS, Perry DS (2013) Comput Theor Chem 1008:90
31. Baggioli A, Famulari A (2014) Phys Chem Chem Phys 16:3983-3994
32. Maillard A, Rochefort A (2009) Phys Rev B 79(11):115207
33. Colle R, Grosso G, Ronzani A, Zicovich-Wilson CM (2011) Physica Status Solidi B 248
(6):1360–1368
34. Xie W, Sun YY, Zhang SB, Northrup JE (2011) Phys Rev B 83(18):184117
35. Famulari A, Raos G, Baggioli A, Casalegno M, Po R, Meille SV (2012) J Phys Chem B 116
(49):14504
36. Dag S, Wang LW (2010) J Phys Chem B 114(18):5997
37. Marcon V, Raos G (2004) J Phys Chem B 108(46):18053
38. Moreno M, Casalegno M, Raos G, Meille SV, Po R (2010) J Phys Chem B 114(4):1591
39. To TT, Adams S (2012) Nanosci Nanotechnol Lett 4(7):703
40. Bhatta RS, Yimer YY, Perry DS, Tsige M (2013) J Phys Chem B 117(34):10035
41. Melis C, Colombo L, Mattoni A (2011) J Phys Chem C 115(2):576
42. Alexiadis O, Mavrantzas VG (2013) Macromolecules 46(6):2450
43. Curco ´ D, Alema ´n C (2007) J Comput Chem 28(10):1743–1749
44. Zhang G, Pei Y, Ma J, Yin K, Chen CL (2004) J Phys Chem B 108(22):6988
45. Huang DM, Faller R, Do K, Moule ´ AJ (2010) J Chem Theory Comput 6(2):526
46. Do K, Huang DM, Faller R, Moule ´ AJ (2010) Phys Chem Chem Phys 12(44):14735
47. Yimer YY, Dhinojwala A, Tsige M (2012) J Chem Phys 137(4):044703
48. Reddy S, Kuppa VK (2012) Synth Met 162(23):2117
49. D’Avino G, Mothy S, Muccioli L, Zannoni C, Wang L, Cornil J, Beljonne D, Castet F (2013)
J Phys Chem C 117(25):12981
50. Lee CK, Pao CW, Chu CW (2011) Energ Environ Sci 4(10):4124
51. Mu ¨ller M (2011) J Stat Phys 145(4):967
52. Noid WG (2013) J Chem Phys 139(9):090901
53. Kremer K, Mu ¨ller-Plathe F (2002) Mol Simulat 28(8–9):729
54. Lyubartsev AP, Laaksonen A (1995) Phys Rev E 52(4):3730
55. Izvekov S, Voth GA (2005) J Phys Chem B 109(7):2469
56. Noid WG, Chu J, Ayton GS, Krishna V, Izvekov S, Voth GA, Das A, Andersen HC (2008)
J Chem Phys 128:244114
57. Shell MS (2008) J Chem Phys 129(14):144108
58. Daoulas KC, Mu ¨ller M (2010) Comparison of simulations of lipid membranes with membranes of block copolymers. In: Meier WP, Knoll W (eds) Polymer membranes/
biomembranes. Advances in Polymer Science, vol 224. Springer, Berlin Heidelberg,
pp 43–85
59. Jankowski E, Marsh HS, Jayaraman A (2013) Macromolecules 46(14):5775
60. Schwarz KN, Kee TW, Huang DM (2013) Nanoscale 5(5):2017
61. Reith D, Pu ¨tz M, Mu ¨ller-Plathe F (2003) J Comput Chem 24(13):1624–1636
62. Carbone P, Varzaneh HAK, Chen X, Mu ¨ller-Plathe F (2008) J Chem Phys 128(6):064904
63. Daoulas KC, Ru ¨hle V, Kremer K (2012) J Phys Condens Mat 24(28):284121
64. Gemu ¨nden P, Poelking C, Kremer K, Andrienko D, Daoulas KC (2013) Macromolecules 46
(14):5762
65. Stingelin N (2012) Polym Int 61(6):866–873
66. Ho V, Boudouris BW, Segalman RA (2010) Macromolecules 43(19):7895
67. Holyst R, Vilgis TA (1996) Macromol Theor Simulat 5(4):573–643
68. Hamm M, Goldbeck-Wood G, Zvelindovsky AV, Sevink GJA, Fraaije JGEM (2002) J Chem
Phys 116(7):3152
69. Wang Q (2011) Soft Matter 7(8):3711
70. Pryamitsyn V, Ganesan V (2004) J Chem Phys 120(12):5824
71. Kumar NA, Ganesan V (2012) J Chem Phys 136(10):101101
Morphology and Charge Transport in P3HT: A Theorist’s Perspective
177
29. Tsuzuki S, Honda K, Azumi R (2002) J Am Chem Soc 124(41):12200
30. Bhatta RS, Perry DS (2013) Comput Theor Chem 1008:90
31. Baggioli A, Famulari A (2014) Phys Chem Chem Phys 16:3983-3994
32. Maillard A, Rochefort A (2009) Phys Rev B 79(11):115207
33. Colle R, Grosso G, Ronzani A, Zicovich-Wilson CM (2011) Physica Status Solidi B 248
(6):1360–1368
34. Xie W, Sun YY, Zhang SB, Northrup JE (2011) Phys Rev B 83(18):184117
35. Famulari A, Raos G, Baggioli A, Casalegno M, Po R, Meille SV (2012) J Phys Chem B 116
(49):14504
36. Dag S, Wang LW (2010) J Phys Chem B 114(18):5997
37. Marcon V, Raos G (2004) J Phys Chem B 108(46):18053
38. Moreno M, Casalegno M, Raos G, Meille SV, Po R (2010) J Phys Chem B 114(4):1591
39. To TT, Adams S (2012) Nanosci Nanotechnol Lett 4(7):703
40. Bhatta RS, Yimer YY, Perry DS, Tsige M (2013) J Phys Chem B 117(34):10035
41. Melis C, Colombo L, Mattoni A (2011) J Phys Chem C 115(2):576
42. Alexiadis O, Mavrantzas VG (2013) Macromolecules 46(6):2450
43. Curco ´ D, Alema ´n C (2007) J Comput Chem 28(10):1743–1749
44. Zhang G, Pei Y, Ma J, Yin K, Chen CL (2004) J Phys Chem B 108(22):6988
45. Huang DM, Faller R, Do K, Moule ´ AJ (2010) J Chem Theory Comput 6(2):526
46. Do K, Huang DM, Faller R, Moule ´ AJ (2010) Phys Chem Chem Phys 12(44):14735
47. Yimer YY, Dhinojwala A, Tsige M (2012) J Chem Phys 137(4):044703
48. Reddy S, Kuppa VK (2012) Synth Met 162(23):2117
49. D’Avino G, Mothy S, Muccioli L, Zannoni C, Wang L, Cornil J, Beljonne D, Castet F (2013)
J Phys Chem C 117(25):12981
50. Lee CK, Pao CW, Chu CW (2011) Energ Environ Sci 4(10):4124
51. Mu ¨ller M (2011) J Stat Phys 145(4):967
52. Noid WG (2013) J Chem Phys 139(9):090901
53. Kremer K, Mu ¨ller-Plathe F (2002) Mol Simulat 28(8–9):729
54. Lyubartsev AP, Laaksonen A (1995) Phys Rev E 52(4):3730
55. Izvekov S, Voth GA (2005) J Phys Chem B 109(7):2469
56. Noid WG, Chu J, Ayton GS, Krishna V, Izvekov S, Voth GA, Das A, Andersen HC (2008)
J Chem Phys 128:244114
57. Shell MS (2008) J Chem Phys 129(14):144108
58. Daoulas KC, Mu ¨ller M (2010) Comparison of simulations of lipid membranes with membranes of block copolymers. In: Meier WP, Knoll W (eds) Polymer membranes/
biomembranes. Advances in Polymer Science, vol 224. Springer, Berlin Heidelberg,
pp 43–85
59. Jankowski E, Marsh HS, Jayaraman A (2013) Macromolecules 46(14):5775
60. Schwarz KN, Kee TW, Huang DM (2013) Nanoscale 5(5):2017
61. Reith D, Pu ¨tz M, Mu ¨ller-Plathe F (2003) J Comput Chem 24(13):1624–1636
62. Carbone P, Varzaneh HAK, Chen X, Mu ¨ller-Plathe F (2008) J Chem Phys 128(6):064904
63. Daoulas KC, Ru ¨hle V, Kremer K (2012) J Phys Condens Mat 24(28):284121
64. Gemu ¨nden P, Poelking C, Kremer K, Andrienko D, Daoulas KC (2013) Macromolecules 46
(14):5762
65. Stingelin N (2012) Polym Int 61(6):866–873
66. Ho V, Boudouris BW, Segalman RA (2010) Macromolecules 43(19):7895
67. Holyst R, Vilgis TA (1996) Macromol Theor Simulat 5(4):573–643
68. Hamm M, Goldbeck-Wood G, Zvelindovsky AV, Sevink GJA, Fraaije JGEM (2002) J Chem
Phys 116(7):3152
69. Wang Q (2011) Soft Matter 7(8):3711
70. Pryamitsyn V, Ganesan V (2004) J Chem Phys 120(12):5824
71. Kumar NA, Ganesan V (2012) J Chem Phys 136(10):101101
Morphology and Charge Transport in P3HT: A Theorist’s Perspective
177