SIESTA

Calculs de structure électronique et simulations de dynamique moléculaire ab initio.

Authors of the code: Emilio Artacho, José M. Cela, Julian Gale, Alberto García, Javier Junquera, Richard M. Martin, Pablo Ordejón, Nick R. Papior, Daniel Sánchez-Portal, José M. Soler

Homepage: The homepage contains sources, basis and pseudopotential files, documentation and other useful resources.

https://departments.icmab.es/leem/siesta/

Source: The original source code is available in the homepage, this and other modified versions are available in our website.

https://launchpad.net/siesta

www.jh-inst.cas.cz/~liska/Siesta.htm

Reference: Artacho, E., Anglada, E., Diéguez, O., Gale, J. D., García, A., Junquera, J., Martin, R.M., Ordejón, P., Pruneda, J.M. Sánchez-Portal, D., Soler, J. M. (2008). The SIESTA method; developments and applicability. Journal of Physics: Condensed Matter, 20(6), 064208.

Description & Use:

Siesta is both program and method capable of highly accurate quantum chemical modelling of molecules and solids.

Quick start: check the included manuals

Program status:

The current package contains SIESTA binaries of version 4.1 compiled for the particular Android hardware platforms and adapted for running in generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.

License:

The distribution is published for free at Mobile Chemistry Portal and Google Play Store with kind permission of Alberto García.

For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package.

Contact:

Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.

Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm