scale of length classical thory or quantum theory? list of solver choices


SPM Simulator : question for solver selection page(012)


We introduce solvers appropriate for AFM simulation on the angstrom scale in this page.
In order to narrow choices, you have to choose either a simulation based on a classical theory or a simulation based on a quantum theory.
Features of each choice is described in the light blue boxes below.
Please select the one appropriate for the simulation you want to do.
If you can't determine which one to select, you should first try "simulation based on a classical theory" and then try "simulation based on a quantum theory".
Please click either word of "simulation based on a classical theory" or "simulation based on a quantum theory".

Which one do you need, simulation based on a classical theory or simulation based on a quantum theory?

simulation based on
a classical theory

AFM is sumulated based on a classical mechanical method.
An AFM image is calculated by searching an energetically stable atom arrangement of a molecule and determining the optimized structure of the molecule.
An AFM image is calculated by molecular dynamics, on which Newton's equation of motion is solved for all atoms in molecules and deformation of the molecules is predicted.

simulation based on
a quantum theory

AFM is simulated by quantum mechanical method.
Density Functional based Tight Binding method is adopted.
Calculation time is greatly reduced in comparison with that of ab initio calculation.

If you can't find a simulation for your purpose, mail us by clicking the illustration below.
A symbol of a position where trouble occurs will be inserted into the subject of the mail.




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