the kinetic energy) may be expressed as a function of the electronic density.ĭFT methods may themselves be split into two categories, called orbital-based or orbital-free methods, depending on whether they use a set of orbitals to solve the problem. In particular, the theory shows how all terms involved in the total energy of the system (e.g. Among such approximations, a set of effective ones are based on the Density Functional Theory (DFT), which states that the electronic structure of a molecular system can be determined based on the electronic density only. Modeling and simulating molecular systems at the quantum level is often based on approximations of the Schrödinger equation, whose solution is the wave function describing the state of the molecular system. The NANO-D group is funded through ANR grants, an ARC grant, and an ERC Starting Grant ( ). Similar to what has happened with macroscopic engineering, powerful and generic computational tools will be employed to engineer complex nanosystems, through modeling and simulation. Indeed, the recent years have seen tremendous progress in nanotechnology - in particular in the ability to control matter at the atomic scale. The twenty-first century is most likely to see a similar development at the atomic scale. Digital prototypes have progressively replaced actual ones, and effective computer-aided engineering tools have helped cut costs and reduce production cycles of these macroscopic systems.
TRACKMANIA 2 STADIUM CUSTOM AVATAR SOFTWARE
All algorithms developed by the group are gathered into SAMSON, an open-architecture software platform designed by NANO-D (SAMSON: Software for Adaptive Modeling and Simulation Of Nanosystems).ĭuring the twentieth century, the development of macroscopic engineering has been largely stimulated by progress in numerical design and prototyping: cars, planes, boats, and many other manufactured objects are nowadays designed and tested on computers. The NANO-D group, led by Stephane Redon at INRIA, develops novel multiscale, adaptive modeling and simulation methods, which automatically focus computational resources on the most relevant parts of the nanosystems under study.