UQUANTCHEM

J. Heyrovsky Institute Prague

À propos de l'application

Author of the code: Petros Souvatzis

Homepage: The project homepage contains the sources, binaries (Windows, Mac OS X), manuals and lots of other usefull stuff. The project is located at GitHub as well.
http://www.uquantchem.com/uquantchem.html https://github.com/petrossou/uquantchem

Source: Source code is available in the project homepage and at GitHub.
http://www.uquantchem.com/uquantchem.html https://github.com/petrossou/uquantchem

Reference: Souvatzis, P., Computer Physics Communications 185(1) (2014) 415-421.

Description & Use:
UQUANTCHEM offers wide computational methodology possibilities from ab initio through DFT, perturbation theory up to molecular dynamics. Both single point and geometry optimization procedures are available.

Quick start: check the included manuals

Program status:
The current package contains UQUANTCHEM binaries of version V.35 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 Petros Souvatzis.
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 ([e-mail]) and Veronika Růžičková ([e-mail]), 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