• Surfactants
    Surfactants

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Proteins
    Proteins

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Nanoparticles
    Nanoparticles

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Mixtures
    Mixtures

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Peptides
    Peptides

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Microemulsions
    Microemulsions

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • (Bio)Membranes
    (Bio)Membranes

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Interfaces
    Interfaces

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

  • Polymers
    Polymers

    with

    MFD-FormulaOne - The integrated all-in-one rich-client solution for Molecular Fragment Dynamics (MFD) simulations

About ...

MFD-FormulaOne is an integrated all-in-one rich-client application for mesoscopic simulation with Molecular Fragment Dynamics (MFD) which provides interactive and comfortable ...

Features

  • Job Design Guided definition of simulation job features
  • Job Execution Parallelized background job processing
  • Job Results Analysis Explorative simulation box views plus property diagrams

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Mesoscopic Simulation

Mesoscopic simulation allows the study of large chemical ensembles with millions of molecules for long periods of time up to the microseconds scale to observe formation and stability of supramolecular structural patterns (molecular aggregation, micelles, layers etc.) and to obtain associated properties (radial distribution functions, surface tensions etc.).

Molecular Fragment Dynamics (MFD) in particular is a chemically intuitive variant of Dissipative Particle Dynamics (DPD) developed by CAM-D Technologies where each specific molecule is represented by an appropriate set of defined molecular fragments connected by harmonic springs.

MFD-FormulaOne is an all-in-one rich-client computing environment for a comfortable and interactive design, execution and analysis of MFD simulation jobs. It comes with a (growing) number of basic fragment sets for different application areas (e.g. surfactants, biomembranes, peptides/proteins) and includes a specifically tailored fragment set constructed according to a customer's R&D needs in addition.

Features