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Mimicking Polymer Processing Conditions on the Meso-Scale: Relaxation and Crystallization in Polyethylene Systems after Uni- and Biaxial Stretching

Molecules (Basel, Switzerland), 2024-07, Vol.29 (14), p.3391

2024

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Deriving effective mesoscale potentials from atomistic simulations

Journal of computational chemistry, 2003-10, Vol.24 (13), p.1624-1636

2003

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ACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS

SoftwareX, 2019-07, Vol.10, p.100241, Article 100241

2019

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Initial Crystallization Effects in Coarse-Grained Polyethylene Systems After Uni- and Biaxial Stretching in Blow-Molding Cooling Scenarios

Polymers, 2022-11, Vol.14 (23), p.5144

2022

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Modellbildung und Simulation: Eine anwendungsorientierte Einführung mit praktischen Beispielen in MATLAB und Julia

2024

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Investigation of Crystallization and Relaxation Effects in Coarse-Grained Polyethylene Systems after Uniaxial Stretching

Polymers, 2021-12, Vol.13 (24), p.4466

2021

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Comparison of Force Fields on the Basis of Various Model Approaches-How To Design the Best Model for the [CnMIM][NTf2] Family of Ionic Liquids

Chemphyschem, 2013-10, Vol.14 (14), p.3368-3374

2013

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Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

Journal of chemical theory and computation, 2019-06, Vol.15 (6), p.3854-3867

2019

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A Methodology for Integrating Hierarchical VMAP-Data Structures into an Ontology Using Semantically Represented Analyses

Information (Basel), 2024-01, Vol.15 (1), p.21

2024

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On the Nature of Interactions between Ionic Liquids and Small Amino-Acid-Based Biomolecules

Chemphyschem, 2013-12, Vol.14 (18), p.4044-4064

2013

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A Novel Approach to Predict the Structural Dynamics of E-Bike Drive Units by Innovative Integration of Elastic Multi-Body-Dynamics

Vehicles, 2023-09, Vol.5 (4), p.1227-1253

2023

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SpaGrOW—A Derivative-Free Optimization Scheme for Intermolecular Force Field Parameters Based on Sparse Grid Methods

Entropy (Basel, Switzerland), 2013-09, Vol.15 (9), p.3640-3687

2013

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Small Alcohols Revisited: CCSD(T) Relative Potential Energies for the Minima, First- and Second-Order Saddle Points, and Torsion-Coupled Surfaces

ACS omega, 2018-01, Vol.3 (1), p.419-432

2018

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On the nature of thermal diffusion in binary Lennard-Jones liquids

The Journal of chemical physics, 2000-02, Vol.112 (5), p.2436-2443

2000

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Optimum Real Time Estimation and Interfacing of Braking Points for Racing Car

IEEE transactions on vehicular technology, 2023-02, Vol.72 (2), p.1710-1719

2023

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Determination of relevant mechanical properties for the production process of polyethylene by using mesoscale molecular simulation techniques

Soft materials, 2020-07, Vol.18 (2-3), p.242-261

2020

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A metal hydride system for a forklift: Feasibility study on on-board chemical storage of hydrogen using numerical simulation

International journal of hydrogen energy, 2022-03, Vol.47 (24), p.12240-12250

2022

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Corrections to scaling in the hydrodynamic properties of dilute polymer solutions

The Journal of chemical physics, 2002-07, Vol.117 (2), p.914-924

2002

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The performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries

Soft materials, 2020-07, Vol.18 (2-3), p.200-214

2020

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Semi-Lagrangian lattice Boltzmann method for compressible flows

Physical review. E, 2020-05, Vol.101 (5), p.053306-053306, Article 053306

2020

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The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids

The Journal of chemical physics, 2001-11, Vol.115 (19), p.8978-8982

2001

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Efficiency Improvements of Electrical and Conventional Vehicles

MTZ worldwide, 2018-04, Vol.79 (4), p.38-43

2018

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Stratified Taylor–Green vortex by lattice Boltzmann methods: Influence of stencils, forcing schemes, and collision models

Computers & fluids, 2023-04, Vol.256, p.105838, Article 105838

2023

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Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data

Computer physics communications, 2022-05, Vol.274, p.108285, Article 108285

2022

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Multistep lattice Boltzmann methods: Theory and applications

International journal for numerical methods in fluids, 2019-05, Vol.90 (3), p.156-169

2019

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Mimicking Polymer Processing Conditions on the Meso-Scale: Relaxation and Crystallization in Polyethylene Systems after Uni- and Biaxial Stretching

Deriving effective mesoscale potentials from atomistic simulations

ACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS

Initial Crystallization Effects in Coarse-Grained Polyethylene Systems After Uni- and Biaxial Stretching in Blow-Molding Cooling Scenarios

Modellbildung und Simulation: Eine anwendungsorientierte Einführung mit praktischen Beispielen in MATLAB und Julia

Investigation of Crystallization and Relaxation Effects in Coarse-Grained Polyethylene Systems after Uniaxial Stretching

Comparison of Force Fields on the Basis of Various Model Approaches-How To Design the Best Model for the [CnMIM][NTf2] Family of Ionic Liquids

Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

A Methodology for Integrating Hierarchical VMAP-Data Structures into an Ontology Using Semantically Represented Analyses

On the Nature of Interactions between Ionic Liquids and Small Amino-Acid-Based Biomolecules

A Novel Approach to Predict the Structural Dynamics of E-Bike Drive Units by Innovative Integration of Elastic Multi-Body-Dynamics

SpaGrOW—A Derivative-Free Optimization Scheme for Intermolecular Force Field Parameters Based on Sparse Grid Methods

Small Alcohols Revisited: CCSD(T) Relative Potential Energies for the Minima, First- and Second-Order Saddle Points, and Torsion-Coupled Surfaces

On the nature of thermal diffusion in binary Lennard-Jones liquids

Optimum Real Time Estimation and Interfacing of Braking Points for Racing Car

Determination of relevant mechanical properties for the production process of polyethylene by using mesoscale molecular simulation techniques

A metal hydride system for a forklift: Feasibility study on on-board chemical storage of hydrogen using numerical simulation

Corrections to scaling in the hydrodynamic properties of dilute polymer solutions

The performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries

Semi-Lagrangian lattice Boltzmann method for compressible flows

The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids

Efficiency Improvements of Electrical and Conventional Vehicles

Stratified Taylor–Green vortex by lattice Boltzmann methods: Influence of stencils, forcing schemes, and collision models

Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data

Multistep lattice Boltzmann methods: Theory and applications

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