98
T. A. Deaton et al.
101. Ball RC, Melrose JR (1997) A simulation technique for many spheres in quasi-static motion
under frame-invariant pair drag and Brownian forces. Phys A 247(1–4):444–472
102. Wijmans CM, Smit B, Groot RD (2001) Phase behavior of monomeric mixtures and polymer
solutions with soft interaction potentials. J Chem Phys 114(17):7644–7654
103. Guerrault X, Rousseau B, Farago J (2004) Dissipative particle dynamics simulations of
polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene. J
Chem Phys 121(13): 6538–6546
104. Lahmar F, Rousseau B (2007) Influence of the adjustable parameters of the DPD on the global
and local dynamics of a polymer melt. Polymer 48(12):3584–3592
105. Espanol P, Warren PB (2017) Perspective: dissipative particle dynamics. J Chem Phys 146(15)
106. Nikunen P, Vattulainen I, Karttunen M (2007) Reptational dynamics in dissipative particle
dynamics simulations of polymer melts. Phys Rev E 75(3)
107. Liu H et al (2008) A practical method to avoid bond crossing in two-dimensional dissipative
particle dynamics simulations. J Chem Phys 129(2)
108. Sirk TW et al (2012) An enhanced entangled polymer model for dissipative particle dynamics.
J Chem Phys 136(13)
109. Sliozberg YR et al (2012) Bead-spring models of entangled polymer melts: comparison of
hard-core and soft-core potentials. J Polym Sci Part B-Polym Phys 50(24):1694–1698
110. Goujon F, Malfreyt P, Tildesley DJ (2008) Mesoscopic simulation of entanglements using
dissipative particle dynamics: Application to polymer brushes. J Chem Phys 129(3)
111. Groot RD (2003) Electrostatic interactions in dissipative particle dynamics-simulation of
polyelectrolytes and anionic surfactants. J Chem Phys 118(24):11265–11277
112. Beckers JVL, Lowe CP, De Leeuw SW (1998) An iterative PPPM method for simulating
Coulombic systems on distributed memory parallel computers. Mol Simul 20(6):369–383
113. Gonzalez-Melchor M et al (2006) Electrostatic interactions in dissipative particle dynamics
using the Ewald sums. J Chem Phys 125(22)
114. Glaser J et al (2015) Strong scaling of general-purpose molecular dynamics simulations on
GPUs. Comput Phys Commun 192:97–107
115. Groot RD, Madden TJ (1998) Dynamic simulation of diblock copolymer microphase
separation. J Chem Phys 108(20):8713–8724
116. Groot RD, Madden TJ, Tildesley DJ (1999) On the role of hydrodynamic interactions in block
copolymer microphase separation. J Chem Phys 110(19):9739–9749
117. Zhang K, Manke CW (2000) Simulation of diblock copolymer melts by dissipative particle
dynamics. Comput Phys Commun 129(1–3):275–281
118. Abu-Sharkh B, AlSunaidi A (2006) Morphology and conformation analysis of self-assembled
triblock copolymer melts. Macromol Theory Simul 15(6):507–515
119. Soto-Figueroa C et al (2008) Mesoscopic simulation of metastable microphases in the orderorder transition from gyroid-to-lamellar states of PS-PI diblock copolymer. Chem Phys Lett
460(4–6):507–511
120. Wang YC, Lee WJ, Ju SP (2009) Modeling of the polyethylene and poly(L-lactide) triblock
copolymer: A dissipative particle dynamics study. J Chem Phys 131(12)
121. Gavrilov AA, Kudryavtsev YV, Chertovich AV (2013) Phase diagrams of block copolymer
melts by dissipative particle dynamics simulations. J Chem Phys 139(22)
122. Tallury SS, Spontak RJ, Pasquinelli MA (2014) Dissipative particle dynamics of triblock
copolymer melts: a midblock conformational study at moderate segregation. J Chem Phys
141(24)
123. Xu XF, ZX Cao, QN Zhang (2005) Theoretical study of photoinduced singlet and triplet
excited states of 4-dimethylaminobenzonitrile and its derivatives. J Chem Phys 122(19)
124. Prhashanna A, Dormidontova EE (2017) Tadpole and mixed linear/tadpole micelles of diblock
copolymers: thermodynamics and chain exchange kinetics. Macromolecules 50(4):1740–
1748
125. Peters AJ, Lodge TP (2017) Chain exchange kinetics of asymmetric B(1)AB(2) linear triblock
and AB(1)B(2) branched triblock copolymers. Macromolecules 50(16):6303–6313
T. A. Deaton et al.
101. Ball RC, Melrose JR (1997) A simulation technique for many spheres in quasi-static motion
under frame-invariant pair drag and Brownian forces. Phys A 247(1–4):444–472
102. Wijmans CM, Smit B, Groot RD (2001) Phase behavior of monomeric mixtures and polymer
solutions with soft interaction potentials. J Chem Phys 114(17):7644–7654
103. Guerrault X, Rousseau B, Farago J (2004) Dissipative particle dynamics simulations of
polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene. J
Chem Phys 121(13): 6538–6546
104. Lahmar F, Rousseau B (2007) Influence of the adjustable parameters of the DPD on the global
and local dynamics of a polymer melt. Polymer 48(12):3584–3592
105. Espanol P, Warren PB (2017) Perspective: dissipative particle dynamics. J Chem Phys 146(15)
106. Nikunen P, Vattulainen I, Karttunen M (2007) Reptational dynamics in dissipative particle
dynamics simulations of polymer melts. Phys Rev E 75(3)
107. Liu H et al (2008) A practical method to avoid bond crossing in two-dimensional dissipative
particle dynamics simulations. J Chem Phys 129(2)
108. Sirk TW et al (2012) An enhanced entangled polymer model for dissipative particle dynamics.
J Chem Phys 136(13)
109. Sliozberg YR et al (2012) Bead-spring models of entangled polymer melts: comparison of
hard-core and soft-core potentials. J Polym Sci Part B-Polym Phys 50(24):1694–1698
110. Goujon F, Malfreyt P, Tildesley DJ (2008) Mesoscopic simulation of entanglements using
dissipative particle dynamics: Application to polymer brushes. J Chem Phys 129(3)
111. Groot RD (2003) Electrostatic interactions in dissipative particle dynamics-simulation of
polyelectrolytes and anionic surfactants. J Chem Phys 118(24):11265–11277
112. Beckers JVL, Lowe CP, De Leeuw SW (1998) An iterative PPPM method for simulating
Coulombic systems on distributed memory parallel computers. Mol Simul 20(6):369–383
113. Gonzalez-Melchor M et al (2006) Electrostatic interactions in dissipative particle dynamics
using the Ewald sums. J Chem Phys 125(22)
114. Glaser J et al (2015) Strong scaling of general-purpose molecular dynamics simulations on
GPUs. Comput Phys Commun 192:97–107
115. Groot RD, Madden TJ (1998) Dynamic simulation of diblock copolymer microphase
separation. J Chem Phys 108(20):8713–8724
116. Groot RD, Madden TJ, Tildesley DJ (1999) On the role of hydrodynamic interactions in block
copolymer microphase separation. J Chem Phys 110(19):9739–9749
117. Zhang K, Manke CW (2000) Simulation of diblock copolymer melts by dissipative particle
dynamics. Comput Phys Commun 129(1–3):275–281
118. Abu-Sharkh B, AlSunaidi A (2006) Morphology and conformation analysis of self-assembled
triblock copolymer melts. Macromol Theory Simul 15(6):507–515
119. Soto-Figueroa C et al (2008) Mesoscopic simulation of metastable microphases in the orderorder transition from gyroid-to-lamellar states of PS-PI diblock copolymer. Chem Phys Lett
460(4–6):507–511
120. Wang YC, Lee WJ, Ju SP (2009) Modeling of the polyethylene and poly(L-lactide) triblock
copolymer: A dissipative particle dynamics study. J Chem Phys 131(12)
121. Gavrilov AA, Kudryavtsev YV, Chertovich AV (2013) Phase diagrams of block copolymer
melts by dissipative particle dynamics simulations. J Chem Phys 139(22)
122. Tallury SS, Spontak RJ, Pasquinelli MA (2014) Dissipative particle dynamics of triblock
copolymer melts: a midblock conformational study at moderate segregation. J Chem Phys
141(24)
123. Xu XF, ZX Cao, QN Zhang (2005) Theoretical study of photoinduced singlet and triplet
excited states of 4-dimethylaminobenzonitrile and its derivatives. J Chem Phys 122(19)
124. Prhashanna A, Dormidontova EE (2017) Tadpole and mixed linear/tadpole micelles of diblock
copolymers: thermodynamics and chain exchange kinetics. Macromolecules 50(4):1740–
1748
125. Peters AJ, Lodge TP (2017) Chain exchange kinetics of asymmetric B(1)AB(2) linear triblock
and AB(1)B(2) branched triblock copolymers. Macromolecules 50(16):6303–6313