1 @article
{Berendsen1984
,
2 author = {Berendsen
, H. J. C. and Postma
, J. P. M. and van Gunsteren
, W. F. and DiNola
, A. and Haak
, J. R.
},
3 doi
= {10.1063/1.448118},
5 journal = {The Journal of Chemical Physics
},
10 title = {{Molecular dynamics with coupling to an external bath
}},
14 @article
{Phillips2011
,
15 author = {Phillips
, Carolyn L. and Anderson
, Joshua A. and Glotzer
, Sharon C.
},
16 doi
= {10.1016/j.jcp
.2011.05.021},
18 journal = {Journal of Computational Physics
},
22 title = {{Pseudo
-random
number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices
}},
27 author = {Nguyen
, Trung Dac and Phillips
, Carolyn L. and Anderson
, Joshua A. and Glotzer
, Sharon C.
},
28 doi
= {10.1016/j.cpc
.2011.06.005},
30 journal = {Computer Physics Communications
},
34 title = {{Rigid body constraints realized in massively
-parallel molecular dynamics on graphics processing units
}},
38 @article
{Kamberaj2005
,
39 author = {Kamberaj
, H and Low
, R J and Neal
, M P
},
40 doi
= {10.1063/1.1906216},
42 journal = {The Journal of chemical physics
},
48 title = {{Time reversible and symplectic integrators for molecular dynamics simulations of rigid molecules.
}},
53 author = {Miller
, T. F. and Eleftheriou
, M. and Pattnaik
, P. and Ndirango
, A. and Newns
, D. and Martyna
, G. J.
},
54 doi
= {10.1063/1.1473654},
56 journal = {The Journal of Chemical Physics
},
61 title = {{Symplectic quaternion scheme for biophysical molecular dynamics
}},
66 author = {Levine
, Benjamin G. and LeBard
, David N. and DeVane
, Russell and Shinoda
, Wataru and Kohlmeyer
, Axel and Klein
, Michael L.
},
67 doi
= {10.1021/ct2005193
},
69 journal = {Journal of Chemical Theory and Computation
},
73 publisher = {American Chemical Society
},
74 title = {{Micellization studied by GPU
-accelerated coarse
-grained molecular dynamics
}},
78 @article
{Toxvaerd2011
,
79 author = {Toxvaerd
, S\o ren and Dyre
, Jeppe C
},
80 doi
= {10.1063/1.3558787},
82 journal = {The Journal of chemical physics
},
87 title = {{Communication
: Shifted forces in molecular dynamics.
}},
92 author = {LeBard
, David N. and Levine
, Benjamin G. and Mertmann
, Philipp and Barr
, Stephen A. and Jusufi
, Arben and Sanders
, Samantha and Klein
, Michael L. and Panagiotopoulos
, Athanassios Z.
},
93 doi
= {10.1039/c1sm06787g
},
95 journal = {Soft Matter
},
98 publisher = {The Royal Society of Chemistry
},
99 title = {{Self
-assembly of coarse
-grained ionic surfactants accelerated by graphics processing units
}},
103 author = {Bond
, Stephen D and Leimkuhler
, Benedict J and Laird
, Brian B
},
104 doi
= {10.1006/jcph
.1998.6171},
105 journal = {Journal of Computational Physics
},
107 title = {{The Nose
-Poincare Method for Constant Temperature Molecular Dynamics
}},
111 @article
{Morozov2011
,
112 author = {Morozov
, I.V. and Kazennov
, A.M. and Bystryi
, R.G. and Norman
, G.E. and Pisarev
, V.V. and Stegailov
, V.V.
},
113 doi
= {10.1016/j.cpc
.2010.12.026},
115 journal = {Computer Physics Communications
},
118 pages = {1974--1978},
119 title = {{Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs
}},