Florian Müller-plathe : rechercher sur Z-Library

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1

Molecular dynamics simulation in the grand canonical ensemble

Hossein Eslami, Florian Müller-Plathe

Journal:

Journal of Computational Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 264 KB

english, 2007

2

TEQUILA: Displaying molecular distance maps

Amanda Wilton, Florian Müller-Plathe, William Smith

Journal:

Journal of Molecular Graphics

Année:

1991

Langue:

english

Fichier:

PDF, 118 KB

english, 1991

3

A comparison of sulfur mustard and heptane penetrating a dipalmitoylphosphatidylcholine bilayer membrane

Thomas J. Müller, Florian Müller-Plathe

Journal:

Journal of Hazardous Materials

Année:

2009

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2009

4

CG-OPT: A software package for automatic force field design

Dirk Reith, Hendrik Meyer, Florian Müller-Plathe

Journal:

Computer Physics Communications

Année:

2002

Langue:

english

Fichier:

PDF, 208 KB

english, 2002

5

Classical Reactive Molecular Dynamics Implementations: State of the Art

Dr. Karim Farah, Prof. Dr. Florian Müller-Plathe, Prof. Dr. Michael C. Böhm

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2012

6

Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids

Müller-Plathe, Florian

Journal:

Physical Review E

Année:

1999

Langue:

english

Fichier:

PDF, 105 KB

english, 1999

7

Ion Binding to Cucurbit[6]uril: Structure and Dynamics

Tarmyshov, Konstantin B., Müller-Plathe, Florian

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 273 KB

english, 2006

8

Cyclohexane−Benzene Mixtures: Thermodynamics and Structure from Atomistic Simulations

Milano, Giuseppe, Müller-Plathe, Florian

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 178 KB

english, 2004

9

Nonequilibrium Molecular Dynamics Calculation of the Thermal Conductivity of Amorphous Polyamide-6,6

Lussetti, Enrico, Terao, Takamichi, Müller-Plathe, Florian

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 86 KB

english, 2007

10

Thermal rectification in nanosized model systems: A molecular dynamics approach

Alaghemandi, Mohammad, Leroy, Frédéric, Müller-Plathe, Florian, Böhm, Michael C.

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 642 KB

english, 2010

11

The hydrophobicity of nanostructured alkane and perfluoro alkane surfaces: A comparison by molecular dynamics simulation

Pal, Sandeep, Weiss, Horst, Keller, Harald, Müller-Plathe, Florian

Journal:

Physical Chemistry Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2005

12

Molecular dynamics approach to locally resolve elastic constants in nanocomposites and thin films: Mechanical description of solid-soft matter interphases via Young's modulus, Poisson's ratio and shear modulus

Riccardi, Enrico, Böhm, Michael C., Müller-Plathe, Florian

Journal:

The European Physical Journal E

Année:

2014

Langue:

english

Fichier:

PDF, 559 KB

english, 2014

13

Formation of coffee-stain patterns at the nanoscale: The role of nanoparticle solubility and solvent evaporation rate

Zhang, Jianguo, Milzetti, Jasmin, Leroy, Frédéric, Müller-Plathe, Florian

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 9.98 MB

english, 2017

14

Die Photoisomerisierung von cis-Stilben folgt nicht dem Weg minimaler Energie

Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe

Journal:

Angewandte Chemie

Année:

1999

Langue:

german

Fichier:

PDF, 119 KB

german, 1999

15

The Photoisomerization of cis-Stilbene Does Not Follow the Minimum Energy Path

Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe

Journal:

Angewandte Chemie International Edition

Année:

1999

Langue:

english

Fichier:

PDF, 99 KB

english, 1999

16

Chain Stiffness Intensifies the Reptation Characteristics of Polymer Dynamics in the Melt

Roland Faller, Florian Müller-Plathe

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 118 KB

english, 2001

17

Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back

Florian Müller-Plathe

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 443 KB

english, 2002

18

Hydrophilie und Lipophilie von Cellulose-Kristalloberflächen

Oliver Biermann, Erich Hädicke, Sebastian Koltzenburg, Florian Müller-Plathe

Journal:

Angewandte Chemie

Année:

2001

Langue:

german

Fichier:

PDF, 291 KB

german, 2001

19

Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces

Oliver Biermann, Erich Hädicke, Sebastian Koltzenburg, Florian Müller-Plathe

Journal:

Angewandte Chemie International Edition

Année:

2001

Langue:

english

Fichier:

PDF, 286 KB

english, 2001

20

Permeation of polymers — a computational approach

Florian Müller-Plathe

Journal:

Acta Polymerica

Année:

1994

Langue:

english

Fichier:

PDF, 4.17 MB

english, 1994

21

Group interaction modelling of polymer properties. By David Porter, Marcel Dekker, New York 1995, X, 512 pp., hardcover, $165.00, ISBN 0-8247-9599-7

Florian Müller-Plathe

Journal:

Advanced Materials

Année:

1996

Langue:

english

Fichier:

PDF, 136 KB

english, 1996

22

Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen

Haiyan Liu, Florian Müller-Plathe, Wilfred F. van Gunsteren

Journal:

Chemistry - A European Journal

Année:

1996

Langue:

english

Fichier:

PDF, 517 KB

english, 1996

23

Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies

Sandeep Pal, Danilo Roccatano, Horst Weiss, Harald Keller, Florian Müller-Plathe

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 630 KB

english, 2005

24

Determining the Local Shear Viscosity of a Lipid Bilayer System by Reverse Non-Equilibrium Molecular Dynamics Simulations

Thomas J. Müller, Florian Müller-Plathe

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 409 KB

english, 2009

25

Correlation between Dynamic Heterogeneity and Local Structure in a Room-Temperature Ionic Liquid: A Molecular Dynamics Study of [bmim][PF6]

Soumya S. Sarangi, Wei Zhao, Florian Müller-Plathe, Sundaram Balasubramanian

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 478 KB

english, 2010

26

Deriving effective mesoscale potentials from atomistic simulations

Dirk Reith, Mathias Pütz, Florian Müller-Plathe

Journal:

Journal of Computational Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 610 KB

english, 2003

27

Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics—Crystal orbital analysis

Mohammad Alaghemandi, Joachim Schulte, Frédéric Leroy, Florian Müller-plathe, Michael C. Böhm

Journal:

Journal of Computational Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 410 KB

english, 2011

28

IBIsCO: A molecular dynamics simulation package for coarse-grained simulation

Hossein Ali Karimi-Varzaneh, Hu-Jun Qian, Xiaoyu Chen, Paola Carbone, Florian Müller-Plathe

Journal:

Journal of Computational Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 501 KB

english, 2011

29

Interfacial Excess Free Energies of Solid–Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration

Frédéric Leroy, Daniel J. V. A. dos Santos, Florian Müller-Plathe

Journal:

Macromolecular Rapid Communications

Année:

2009

Langue:

english

Fichier:

PDF, 244 KB

english, 2009

30

Molecular Dynamics Simulations of Cellulose Oligomers: Conformational Analysis

Séverine Queyroy, Florian Müller-Plathe, David Brown

Journal:

Macromolecular Theory and Simulations

Année:

2004

Langue:

english

Fichier:

PDF, 345 KB

english, 2004

31

Properties of Polyvinyl Alcohol Oligomers: A Molecular Dynamics Study

Eddie Rossinsky, Konstantin B. Tarmyshov, Michael C. Böhm, Florian Müller-Plathe

Journal:

Macromolecular Theory and Simulations

Année:

2009

Langue:

english

Fichier:

PDF, 281 KB

english, 2009

32

Fully numerical Hartree-Fock calculations on NaF, MgO, BeS, and ArH+. On the dipole moment of ArH+

Pekka Pyykkö, Geerd H.F. Diercksen, Florian Müller-Plathe, Leif Laaksonen

Journal:

Chemical Physics Letters

Année:

1987

Langue:

english

Fichier:

PDF, 383 KB

english, 1987

33

Towards a computational approach to penetrant diffusion in semicrystalline polymers

Florian Müller-Plathe

Journal:

Chemical Physics Letters

Année:

1991

Langue:

english

Fichier:

PDF, 785 KB

english, 1991

34

Force field parametrization by weak coupling. Re-engineering SPC water

Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe

Journal:

Chemical Physics Letters

Année:

1995

Langue:

english

Fichier:

PDF, 606 KB

english, 1995

35

Solvent dynamics in swollen polymers

Florian Müller-Plathe

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 460 KB

english, 1996

36

Parallelising a molecular dynamics algorithm on a multi-processor workstation

Florian Müller-Plathe

Journal:

Computer Physics Communications

Année:

1990

Langue:

english

Fichier:

PDF, 874 KB

english, 1990

37

YASP: A molecular simulation package

Florian Müller-Plathe

Journal:

Computer Physics Communications

Année:

1993

Langue:

english

Fichier:

PDF, 1.29 MB

english, 1993

38

PARALLACS: a benchmark for parallel molecular dynamics

Florian Müller-Plathe, Walter Scott, Wilfred F. van Gunsteren

Journal:

Computer Physics Communications

Année:

1994

Langue:

english

Fichier:

PDF, 1.20 MB

english, 1994

39

Cooperative effects in the transport of small molecules through an amorphous polymer matrix

Florian Müller-Plathe, Leif Laaksonen, Wilfred F. van Gunsteren

Journal:

Journal of Molecular Graphics

Année:

1993

Langue:

english

Fichier:

PDF, 369 KB

english, 1993

40

An improved dimethyl sulfoxide force field for molecular dynamics simulations

Patrice Bordat, Javier Sacristan, Dirk Reith, Séverine Girard, Alice Glättli, Florian Müller-Plathe

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 171 KB

english, 2003

41

Solvation of poly(vinyl alcohol) in water, ethanol and an equimolar water-ethanol mixture: structure and dynamics studied by molecular dynamics simulation

Florian Müller-Plathe, Wilfred F. van Gunsteren

Journal:

Année:

1997

Langue:

english

Fichier:

PDF, 1.05 MB

english, 1997

42

Diffusion of water in swollen poly(vinyl alcohol) membranes studied by molecular dynamics simulation

Florian Müller-Plathe

Journal:

Journal of Membrane Science

Année:

1998

Langue:

english

Fichier:

PDF, 328 KB

english, 1998

43

Modeling of poly(isoprene) melts on different scales

Roland Faller, Florian Müller-Plathe

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 280 KB

english, 2002

44

Multicentered Gaussian-based potentials for coarse-grained polymer simulations: Linking atomistic and mesoscopic scales

Giuseppe Milano, Sylvain Goudeau, Florian Müller-Plathe

Journal:

Journal of Polymer Science Part B: Polymer Physics

Année:

2005

Langue:

english

Fichier:

PDF, 305 KB

english, 2005

45

Heat transport through a biological membrane—An asymmetric property? Technical issues of nonequilibrium molecular dynamics methods

Thomas J. Müller, Florian Müller-Plathe

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 544 KB

english, 2011

46

Properties of the BCl molecule studied by fourth-order many-body perturbation theory

Florian Müller-Plathe, Geerd H. F. Diercksen

Journal:

International Journal of Quantum Chemistry

Année:

1987

Langue:

english

Fichier:

PDF, 376 KB

english, 1987

47

Hartree-fock-limit properties for SiC, SiN, Si2, Si2* AND SiS

Florian Müller-Plathe, Leif Laaksonen

Journal:

Chemical Physics Letters

Année:

1989

Langue:

english

Fichier:

PDF, 552 KB

english, 1989

48

Computational evidence for anomalous diffusion of small molecules in amorphous polymers

Florian Müller-Plathe, Stephen C. Rogers, Wilfred F. van Gunsteren

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 599 KB

english, 1992

49

Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraints

Florian Müller-Plathe, David Brown

Journal:

Computer Physics Communications

Année:

1991

Langue:

english

Fichier:

PDF, 517 KB

english, 1991

50

Preface

Marvin Bishop, Florian Müller-Plathe

Journal:

Computer Physics Communications

Année:

1991

Langue:

english

Fichier:

PDF, 69 KB

english, 1991