May 8, 2019
FLEUR
FLEUR is a code family for calculating groundstate as well as excited-state properties of solids within the context of density functional theory (DFT). A key difference with respect to the other flagship codes - and indeed most other DFT codes - lies in the treatment of all electrons on the same footing. Thereby we can also calculate the core states and investigate effects in which these states change.
May 8, 2019
Yambo
YAMBO is an open-source code that implements Many-Body Perturbation Theory (MBPT) methods (such as GW and BSE), which allows for accurate prediction of fundamental properties as band gaps of semiconductors, band alignments, defect quasi-particle energies, optics and out-of-equilibrium properties of materials, including nano-structured systems.
May 8, 2019
SIESTA
SIESTA is a first-principles materials simulation program based on density-functional theory (DFT). It was one of the first codes to enable the treatment of large systems with first-principles electronic-structure methods, which opened up new research avenues in many disciplines.
May 8, 2019
Quantum ESPRESSO
Quantum ESPRESSO is the major open-source (set of) code(s) for quantum materials modelling using the plane-wave pseudopotential method; it has been the development platform for such important methodological innovations as Car-Parrinello molecular dynamics and Density-Functional Perturbation Theory.
May 8, 2019
MaX Help Desk
This is the first entry point to ask for M A X support on questions that are specific to the materials HPC domain.
May 8, 2019
MaX Container technology for HPC system
M A X will document the generation of platform-optimized containers for a selected set of HPC centres offering support for this technology.
May 8, 2019
Simulations on premises and in the cloud
M A X provides a cloud platform for accessible Materials Simulations through AiiDA lab, while also offering Quantum Mobile, a VirtualBox machine that comes with AIIDA and a set of commonly used quantum codes preinstalled
February 18, 2019
Thank You
Morbi leo risus, porta ac consectetur ac, vestibulum at eros. Vestibulum id ligula porta felis...
February 12, 2019
Modificare o abilitare i social
Inserire i link relativi ai vari social. PS: Se il campo link viene lasciato vuoto, l'icona non...
February 12, 2019
Modificare il top header
Entrare nella configurazione del tema Arcadia. Nella parte bassa, sono state inserite diverse tab/...
February 12, 2019
Galleria Icone.
3d-glasses 3d-rotate 8ball abacus accessibility aim alarm-add alarm-add2 alarm-check alarm-error...
February 4, 2019
Privacy Policy
Privacy Policy This website collects some Personal Data from its Users Some of the data gathered...
January 31, 2019
Project
Maecenas faucibus mollis interdum. Lorem ipsum dolor sit amet, consectetur adipiscing elit. Donec...
January 21, 2019
Contact us
Cras justo odio, dapibus ac facilisis in, egestas eget quam. Aenean lacinia bibendum nulla sed...