Max Planck Society - eDoc Server

http://edoc.mpg.de



Morphology of Phosphonic Acid-Functionalized Block Copolymers Studied by Dissipative Particle Dynamics
Authors: Roy, S.; Markova, D.; Kumar, A.; Klapper, Markus; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Macromolecules
Volume: 42
Issue / Number: 3
Start Page: 841
End Page: 848
Document Type: Article
ID: 405330.0


Molecular dynamics Simulations of cellulose oligomers: Conformational analysis
Authors: Queyroy, S.; Müller-Plathe, Florian; Brown, D.
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Macromolecular Theory and Simulations
Volume: 13
Issue / Number: 5
Start Page: 427
End Page: 440
Document Type: Article
ID: 200828.0


Preparing relaxed systems of amorphous polymers by multiscale simulation: Application to cellulose
Authors: Queyroy, S.; Neyertz, S.; Brown, D.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Macromolecules
Volume: 37
Issue / Number: 19
Start Page: 7338
End Page: 7350
Document Type: Article
ID: 204282.0


Chain and local dynamics of polyisoprene as probed by experiments and computer simulations
Authors: Doxastakis, M.; Theodorou, D. N.; Fytas, G.; Kremer, F.; Faller, R.; Müller-Plathe, Florian; Hadjichristidis, N.
Date of Publication (YYYY-MM-DD): 2003-10-01
Title of Journal: Journal of Chemical Physics
Volume: 119
Issue / Number: 13
Start Page: 6883
End Page: 6894
Document Type: Article
ID: 57855.0


Deriving effective mesoscale potentials from atomistic simulations
Authors: Reith, D.; Pütz, M.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2003-10
Title of Journal: Journal of Computational Chemistry
Volume: 24
Issue / Number: 13
Start Page: 1624
End Page: 1636
Document Type: Article
ID: 56390.0


The breakdown of the Stokes-Einstein relation in supercooled binary liquids
Authors: Bordat, P.; Affouard, F.; Descamps, M.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2003-08-20
Title of Journal: Journal of Physics-Condensed Matter
Volume: 15
Issue / Number: 32
Start Page: 5397
End Page: 5407
Document Type: Article
ID: 57870.0


Molecular dynamics simulation of liquid tetrahydrofuran: on the uniqueness of force fields
Authors: Girard, S.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Molecular Physics
Volume: 101
Issue / Number: 6
Start Page: 779
End Page: 787
Document Type: Article
ID: 42924.0


An improved dimethyl sulfoxide force field for molecular dynamics simulations
Authors: Bordat, P.; Sacristian, J.; Reith, D.; Girard, S.; Glättli, A.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Chemical Physics Letters
Volume: 374
Issue / Number: 3-4
Start Page: 201
End Page: 205
Document Type: Article
ID: 42925.0


Scale-hopping in computer simulations of polymers
Authors: Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Soft Materials
Volume: 1
Issue / Number: 1
Start Page: 1
End Page: 31
Document Type: Article
ID: 362762.0


CG-OPT: A software package for automatic force field design
Authors: Reith, D.; Meyer, H.; Müller-Plathe, Florian
Date of Publication (YYYY-MM-DD): 2002-11-01
Title of Journal: Computer Physics Communications
Volume: 148
Issue / Number: 3
Start Page: 299
End Page: 313
Document Type: Article
ID: 28595.0