Section: New Software and Platforms

SAMSON-Materials

Keywords: Algorithm - Materials - 3D - 3D modeling - Nanosystems

Functional Description: Crystal Creator : This SAMSON Elements enables to generate crystals. It contains a SAMSON App to write a unit cell and a SAMSON importer to read CIF format files. Once a unit cell is written or imported, it can be repeated in the directions of the lattice vectors to create a whole crystal. Each repetition is not a mere copy but is generated again so that the defects and the impurities are modeled. A functionality of the associated property model permits to cut the crystal with the Miller indices and expose the important crystalic planes.

Orbital Free DFT : This App computes the electron density of an atomic system. It comes with an interaction model to minimize the atomic structure and a visual model to appreciate the result of computations. The scheme used is the orbital-free DFT, and the pseudo-potential available restrains its use to only 9 elements : Li, Mg, Al, Si, P, Ga, In and Sb.

• Author: François Rousse

• Partner: Inria

• Contact: Stéphane Redon

• URL: http://samson-connect.net