Choosing a type of a sample material
Data processing
Characteristic length Classical theory or quantum theory? Geometry optimizing or molecular dynamics? Finishing the solver selection

SPM simulator: organic compounds (011b)

In this page, we recommend you MD as solvers that simulate AFM images of organic compounds under angstrom scale according to the molecular dynamics that is classified as the classical theory.

In this page, we suppose that the sample material is an organic compound.
However, we can apply a method discussed here to high polymers, soft matters, metals, semiconductors, and non-organic compounds, as well.

We recommend you the following solver:

MD: the molecular dynamics AFM image simulator

Advantages of the MD are as follows:

Solving Newton's equations of motion for all atoms in molecules, the MD can examine deformation of structure of molecules and obtain their AFM image.

The MD can calculate the AFM force curve.

The MD can simulate non-contact AFM images with the constant height mode where the height of the tip is fixed.

The MD can examine structural relaxation of molecules.

To prepare structural data of the tip and the sample material, please refer to the following page:

SetModel, ChemSketch: software for generating structural data of tips and sample materials


If you cannot find a simulation that you want to perform from the above list, please contact us by e-mail.
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