Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Existing Real-Space and Multigrid Codes

Compiled here are existing electronic structure, electrostatics, and transport codes that utilize real-space and MG or multiscale methods. The vitality of this field of computational science is self-evident. [Pg.268]

MGmol Real-space MG code for MD simulations developed by J.-L. Fattebert at Lawrence Livermore National Laboratory. Available http // www.llnl.gov/casc/MolecularDynamics/. [Pg.269]

Bernholc group code Real-space MG code with applications to a wide range of nanosystems. Available http //nemo.physics.ncsu.edu/ luw/. ACRES Adaptive-grid real-space code from the Kaxiras group. A modified version is called HARES. Available http //cst-www.nrl.navy. mil/ singh/acres/info.html. [Pg.269]

GPaw All-electron real-space code using projected augmented wave method and frozen core approximation. Available http //www.camd. dtu.dk/software.aspx. [Pg.269]

OpenMX Linear-scaling method that utilizes variationally optimized atomic orbitals. Available http //www.openmx-square.org/. [Pg.269]


See other pages where Existing Real-Space and Multigrid Codes is mentioned: [Pg.268]    [Pg.269]   


SEARCH



Multigrid

Multigriding

Real space

© 2024 chempedia.info