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The laboratory a a strong tradition on developing original numerical methods and softwares in solid state physics from ab initio to continuum models. These softwares are developed in collaboration with other laboratories specialists in physics as well as mathematics or computer sciences. They are used in a wide range of applied physcis problems. |
We also collaborate actively to the development of the code ABINIT in where BigDFT is integrated. |
Softwares :
V_Sim
V_Sim visualizes atomic structures such as crystals, grain boundaries and so on. The rendering is done in 3D to represent the atoms.
The user can interact through many functions to choose the view, the size of the atoms, their color, the background color, the type of fog...
BigDFT
BigDFT is a DFT electronic structure code using a wavelet basis set. It was developed in an European program. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation).
BigDFT is massively parallel with an efficiency of 90% and exploits Graphics Processing Units (GPU) architecture.
Mi_magnet
Mi_Magnet simule des systèmes magnétiques dans le modèle de spins classique d'Heisenberg en utilisant une approche multi-résolution regroupant les spins par domaine si la variation est négligeable. Utilisant la méthode des multipôles, ce code peut simuler des systèmes de plusieurs millions de variables.
TB_Sim
TB_Sim est un code de liaisons fortes semi-empirique capable de calculer les propriétés structurales et les propriétés électroniques (optique, transport) de nanostructures telles que les boîtes ou fils quantiques, les rubans de graphène, etc.
