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Lista de obras de Florian Müller-Plathe

A Coarse-Grained Model for Polyphenylene Dendrimers: Switching and Backfolding of Planar Three-Fold Core Dendrimers

artículo científico publicado en 2007

A Coarse-Grained Molecular Simulation Model for Gecko-Feet Keratin

artículo científico publicado en 2018

A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation

artículo científico publicado en 2017

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

artículo científico publicado en 2009

A kinetic chain growth algorithm in coarse-grained simulations.

artículo científico publicado en 2016

A molecular dynamics study of viscosity in ionic liquids directed by quantitative structure-property relationships

artículo científico publicado en 2012

A nonequilibrium molecular dynamics method for thermal conductivities based on thermal noise

artículo científico publicado en 2005

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity

article by Florian Müller-Plathe published 8 April 1997 in Journal of Chemical Physics

A steady-state non-equilibrium molecular dynamics approach for the study of evaporation processes.

artículo científico publicado en 2013

Adaptive-numerical-bias metadynamics.

artículo científico publicado en 2017

Addressing Surface Effects at the Particle-Continuum Interface in a Molecular Dynamics and Finite Elements Coupled Multiscale Simulation Technique

artículo científico publicado en 2022

Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations

artículo científico publicado en 2016

Anisotropy of the thermal conductivity in a crystalline polymer: reverse nonequilibrium molecular dynamics simulation of the delta phase of syndiotactic polystyrene

artículo científico publicado en 2009

Anisotropy of the thermal conductivity of stretched amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulations

artículo científico publicado en 2009

Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures

artículo científico publicado en 2018

Are there stable ion-pairs in room-temperature ionic liquids? Molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate

artículo científico publicado en 2009

Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts

scientific article published on 03 October 2020

Azobenzene switch with a long-lived cis-state to photocontrol the enzyme activity of a histone deacetylase-like amidohydrolase

artículo científico publicado en 2014

Backmapping coarse-grained polymer models under sheared nonequilibrium conditions

artículo científico publicado en 2009

Can Continuum Thermodynamics Characterize Wenzel Wetting States of Water at the Nanometer Scale?

artículo científico publicado en 2012

Classical Reactive Molecular Dynamics Implementations: State of the Art ⬇️

artículo científico publicado el 27 de enero de 2012

Coarse-Grained Modeling for Macromolecular Chemistry ⬇️

artículo científico publicado el 1 de enero de 2012

Coarse-Grained and Reverse-Mapped United-Atom Simulations of Long-Chain Atactic Polystyrene Melts: Structure, Thermodynamic Properties, Chain Conformation, and Entanglements

artículo científico publicado en 2007

Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers

artículo científico publicado en 2017

Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back

artículo científico publicado en 2002

Combination of Hybrid Particle-Field Molecular Dynamics and Slip-Springs for the Efficient Simulation of Coarse-Grained Polymer Models: Static and Dynamic Properties of Polystyrene Melts

artículo científico publicado en 2020

Comment on "a nonequilibrium molecular-dynamics method for thermal conductivities based on thermal noise" [J. Chem. Phys. 122, 081103 (2005)].

artículo científico publicado en 2005

Contact angles from Young's equation in molecular dynamics simulations.

artículo científico publicado en 2017

Correction to “Molecular Structure and Dynamics of Wet Gecko β-Keratin”

artículo científico publicado en 2023

Correlation between dynamic heterogeneity and local structure in a room-temperature ionic liquid: a molecular dynamics study of [bmim][PF(6)]

scientific article published on 01 June 2010

Correlation between thermal conductivity and bond length alternation in carbon nanotubes: a combined reverse nonequilibrium molecular dynamics--crystal orbital analysis

artículo científico publicado en 2011

Deriving effective mesoscale potentials from atomistic simulations

artículo científico publicado en 2003

Determining the local shear viscosity of a lipid bilayer system by reverse non-equilibrium molecular dynamics simulations

artículo científico publicado en 2009

Double-walled carbon nanotube array for CO2 and SO2 adsorption

artículo científico publicado en 2015

Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid-Liquid Interfaces

artículo científico publicado en 2015

Effect of nanostructure on the properties of water at the water-hydrophobic interface: a molecular dynamics simulation

artículo científico publicado en 2005

Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and Lowe-Andersen equations of motion.

artículo científico publicado en 2009

Erratum: "Double-walled carbon nanotube array for CO2 and SO2 adsorption" [J. Chem. Phys. 143, 124701 (2015)]

scientific article published on 01 October 2015

Evaporation of nanodroplets on heated substrates: a molecular dynamics simulation study

artículo científico publicado en 2013

Excess entropy scaling for the segmental and global dynamics of polyethylene melts.

artículo científico publicado en 2014

Fast dynamics in coarse-grained polymer models: the effect of the hydrogen bonds

artículo científico publicado en 2008

Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts

artículo científico publicado en 2010

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

artículo científico publicado en 2017

Free energy approximations in simple lattice proteins

From mesoscale back to atomistic models: a fast reverse-mapping procedure for vinyl polymer chains

artículo científico publicado en 2007

Gaussian Charge Distributions for Incorporation of Electrostatic Interactions in Dissipative Particle Dynamics: Application to Self-Assembly of Surfactants

scientific article published on 13 June 2019

How Alcoholic Disinfectants Affect Coronavirus Model Membranes: Membrane Fluidity, Permeability, and Disintegration

artículo científico publicado en 2020

How Does Gecko Keratin Stick to Hydrophilic and Hydrophobic Surfaces in the Presence and Absence of Water? An Atomistic Molecular Dynamics Investigation

artículo científico publicado en 2022

How Ethanolic Disinfectants Disintegrate Coronavirus Model Membranes: A Dissipative Particle Dynamics Simulation Study

artículo científico publicado en 2022

How good are coarse-grained polymer models? A comparison for atactic polystyrene.

artículo científico publicado en 2012

Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces

scientific article published on 01 October 2001

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

artículo científico publicado en 2011

Ice and water droplets on graphite: A comparison of quantum and classical simulations

artículo científico publicado en 2014

Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states

artículo científico publicado en 2016

Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation

scientific article published on 15 February 2016

Influence of contact-line curvature on the evaporation of nanodroplets from solid substrates

artículo científico publicado en 2014

Interface between platinum(111) and liquid isopropanol (2-propanol): a model for molecular dynamics studies

artículo científico publicado en 2007

Interface of Grafted and Ungrafted Silica Nanoparticles with a Polystyrene Matrix: Atomistic Molecular Dynamics Simulations

Interfacial excess free energies of solid-liquid interfaces by molecular dynamics simulation and thermodynamic integration

artículo científico publicado en 2009

Interfacial properties of an ionic liquid by molecular dynamics

artículo científico publicado en 2010

Investigation of interphase effects in silica-polystyrene nanocomposites based on a hybrid molecular-dynamics-finite-element simulation framework.

artículo científico publicado en 2016

Ion binding to cucurbit[6]uril: structure and dynamics

scientific article published on 01 July 2006

Local Structure and Dynamics oftrans-Polyisoprene Oligomers

artículo científico publicado en 2001

Local bond order parameters for accurate determination of crystal structures in two and three dimensions

artículo científico publicado en 2018

Loss of Molecular Roughness upon Coarse-Graining Predicts the Artificially Accelerated Mobility of Coarse-Grained Molecular Simulation Models

scientific article published on 13 February 2020

Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains

artículo científico publicado en 2005

Mechanical behavior and interphase structure in a silica–polystyrene nanocomposite under uniaxial deformation ⬇️

artículo científico publicado el 2 de julio de 2012

Mechanisms of Nucleation and Solid–Solid-Phase Transitions in Triblock Janus Assemblies

artículo científico publicado en 2021

Mobility of Polymer Melts in a Regular Array of Carbon Nanotubes

artículo científico publicado en 2022

Molecular Dynamics Simulation of Water Influence on Local Structure of Nanoconfined Polyamide-6,6 ⬇️

artículo científico publicado el 21 de julio de 2011

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

article

Molecular Structure and Dynamics in Wet Gecko β-Keratin

artículo científico publicado en 2022

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

artículo científico publicado en 2018

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

scientific article published on 31 October 2014

Molecular dynamics method to locally resolve Poisson's ratio: Mechanical description of the solid--soft-matter interphase ⬇️

artículo científico publicado el 27 de septiembre de 2012

Molecular dynamics simulation in the grand canonical ensemble

artículo científico publicado en 2007

Molecular dynamics simulation of aqueous NaF and NaI solutions near a hydrophobic surface

artículo científico publicado en 2005

Molecular dynamics simulation of confined fluids in isosurface-isothermal-isobaric ensemble

artículo científico publicado en 2008

Molecular dynamics simulations of heptyl phosphonic acid: a potential polymer component for fuel cell polymer membrane

artículo científico publicado en 2008

Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites

artículo científico publicado en 2018

Nonequilibrium molecular dynamics calculation of the thermal conductivity of amorphous polyamide-6,6.

artículo científico publicado en 2007

Nonequilibrium molecular dynamics methods for computing the thermal conductivity: application to amorphous polymers

artículo científico publicado en 2007

Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum mechanics domain

artículo científico publicado en 2011

Parallelizing a molecular dynamics algorithm on a multiprocessor workstation using OpenMP.

artículo científico publicado en 2005

Performance of quantum chemically derived charges and persistence of ion cages in ionic liquids. A molecular dynamics simulations study of 1-n-butyl-3-methylimidazolium bromide

scientific article published on 20 December 2010

Pinning of the Contact Line during Evaporation on Heterogeneous Surfaces: Slowdown or Temporary Immobilization? Insights from a Nanoscale Study

artículo científico publicado en 2015

Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences

scientific article published on 19 February 2020

Rationalization of the behavior of solid-liquid surface free energy of water in Cassie and Wenzel wetting states on rugged solid surfaces at the nanometer scale

artículo científico publicado en 2010

Reactive Molecular Dynamics with Material-Specific Coarse-Grained Potentials: Growth of Polystyrene Chains from Styrene Monomers ⬇️

artículo científico publicado el 4 de noviembre de 2010

Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs

scientific article published on 01 March 2013

Reptation and constraint release dynamics in bidisperse polymer melts

artículo científico publicado en 2014

Reverse nonequilibrium molecular dynamics calculation of the Soret coefficient in liquid heptane/benzene mixtures.

artículo científico publicado en 2008

Reverse nonequilibrium molecular-dynamics calculation of the Soret coefficient in liquid benzene/cyclohexane mixtures

artículo científico publicado en 2005

Robustness of a new molecular dynamics-finite element coupling approach for soft matter systems analyzed by uncertainty quantification

artículo científico publicado en 2015

Self-Assembly Mechanisms of Triblock Janus Particles

artículo científico publicado en 2019

Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions

artículo científico publicado en 2022

Sequence-Engineering Polyethylene–Polypropylene Copolymers with High Thermal Conductivity Using a Molecular-Dynamics-Based Genetic Algorithm

artículo científico publicado en 2021

Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][pf6] computed by reverse nonequilibrium molecular dynamics

artículo científico publicado en 2008

Slip-Spring Hybrid Particle-Field Molecular Dynamics for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example

artículo científico publicado en 2022

Solid-Liquid Interface Thermal Resistance Affects the Evaporation Rate of Droplets from a Surface: A Study of Perfluorohexane on Chromium Using Molecular Dynamics and Continuum Theory.

artículo científico publicado en 2017

Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method

artículo científico publicado en 2010

Solubility of Carbon Dioxide in Pentaerythritol Hexanoate: Molecular Dynamics Simulation of a Refrigerant-Lubricant Oil System

artículo científico publicado en 2015

Sorption and diffusion of carbon dioxide and nitrogen in poly(methyl methacrylate).

artículo científico publicado en 2013

Structure and mobility of nanoconfined polyamide-6,6 oligomers: application of a molecular dynamics technique with constant temperature, surface area, and parallel pressure

artículo científico publicado en 2009

Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model

artículo científico publicado en 2010

Temperature dependence of coarse-grained potentials for liquid hexane

scientific article published on 15 December 2010

The Soret effect in dilute polymer solutions: influence of chain length, chain stiffness, and solvent quality

artículo científico publicado en 2006

The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution

artículo científico publicado en 2015

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

artículo científico publicado en 2005

The influence of thermostats and manostats on reverse nonequilibrium molecular dynamics calculations of fluid viscosities

artículo científico publicado en 2008

The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulations

artículo científico publicado en 2009

Thermal Transport at Solid-Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.

artículo científico publicado en 2017

Thermal conductivities of molecular liquids by reverse nonequilibrium molecular dynamics

artículo científico publicado en 2005

Thermal conductivity of amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulations

artículo científico publicado en 2009

Thermal conductivity of carbon nanotube-polyamide-6,6 nanocomposites: reverse non-equilibrium molecular dynamics simulations

artículo científico publicado en 2011

Thermal diffusion measurements and simulations of binary mixtures of spherical molecules

artículo científico publicado en 2007

Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations

artículo científico publicado en 2010

Thermal transport at a solid-nanofluid interface: from increase of thermal resistance towards a shift of rapid boiling

artículo científico publicado en 2017

Transferability of coarse-grained force fields: the polymer case.

artículo científico publicado en 2008

Treatment of electrostatic interactions in simulations of the interface between transition metal surfaces and organic matter: the discrete classical model and the reaction-field dielectric method

artículo científico publicado en 2007

Uncertainty Quantification Guided Parameter Selection in a Fully Coupled Molecular Dynamics-Finite Element Model of the Mechanical Behavior of Polymers

artículo científico publicado en 2021

Viscosity of nanoconfined polyamide-6,6 oligomers: atomistic reverse nonequilibrium molecular dynamics simulation

artículo científico publicado en 2010

Water permeability of poly(ethylene terephthalate): a grand canonical ensemble molecular dynamics simulation study

scientific article published on 01 December 2009

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