Choosing a type of a sample material
Data processing
Characteristic length Classical theory or quantum theory? Finishing the solver selection Structural data of tips and samples

SPM simulator: organic compounds (012)

In this page, we recommend you DFTB as solvers that simulate AFM images of organic compounds under angstrom scale according to the quantum 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 and soft matters, as well.

We recommend you the following solver:

DFTB: the quantum mechanical SPM simulator

The DFTB solver simulates not only AFM images of organic products but also STM, STS, and KPFM images of non-organic compounds.

Advantages of the DFTB are as follows:

The DFTB performs simulations according to the quantum theory.

The DFTB carries out calculations with the density functional based tight binding method.

You can obtain simulation results more rapidly compared with the first-principles calculation.

The DFTB can simulate AFM images of organic compounds put on surfaces of crystals of non-organic compounds and plates of metals.


To prepare structural data of tips and sample materials, please refer to the following web pages:

SetModel, ChemSketch: software for constructing 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.
When you send an e-mail to us, a string of characters is put into a subject of the e-mail automatically.
This string tells us at which stage of the simulation you have a trouble.

Instead of sending the e-mail to us, you can give us any questions using the following form.

Subject:

Name:

E-mail address:


What kind of trouble do you have?





Please tell us your trouble precisely.



Back