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Results tagged with software
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user 37
For questions about matter modeling software.
12
votes
More matter modeling codes or better codes?
review and what is the well-known application of that particular software. … This was just an example to show how people choose their research software and I hope it helps you. …
- 2,964
12
votes
Accepted
What software are used to model the optical behavior of metallic nanoparticles?
)$$
Finally, the refractve indices are derived from relative dielectric constant ($\epsilon_{r}$) as:
$$n(\omega) + i\kappa(\omega) = \sqrt{\epsilon_{r}(\omega)}$$
QuantumATK
An example of commercial software …
- 2,964
6
votes
How to calculate diffraction pattern from a model of unit cell?
You are looking for the calculation of structure factor. Basically the X-Ray spectra could be calculated as Fourier transform of your crystal lattice and the Intensity ($I(\mathbf{q})$) could be estim …
- 2,964
15
votes
What tools are used for the preparation of grain boundary models?
If you are looking for generating synthesized microstructures for using it in Phase-Field simulation, the best choice is Dream 3D, where you can control the distribution of grains and their crystallog …
- 2,964
15
votes
Accepted
Computing phonon dispersion from molecular dynamics simulations?
You are basically looking for finding phonon frequencies with respect to $\mathbf{q}$ the scattering vector in reciprocal space. From fluctuation-dissipation theory, the force constants of the system …
- 2,964