SMASH

Modern universal und highly efficient quantum chemistry package.

Author of the code: Kazuya Ishimura

Homepage: The homepage contains the sources, user/programmer manuals and more. The project is located at SourceForge and GitHub as well.

http://smash-qc.sourceforge.net/ https://sourceforge.net/projects/smash-qc/ https://github.com/cmsi/smash

Source: Source code is available in the project homepage, at SourceForge and GitHub.

http://smash-qc.sourceforge.net/ https://sourceforge.net/projects/smash-qc/ https://github.com/cmsi/smash

Reference: Ishimura, K., Scalable molecular analysis solver for high-performance computing systems (SMASH) (2016).

Description & Use:

SMASH is capable of Hartree-Fock, DFT and MP2 computations with built in as well as custom basis sets. Both single point and geometry optimization procedures are available.

Quick start: check the included manuals

Program status:

The current package contains SMASH binaries of version 2.2.0 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 Kazuya Ishimura.

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 ([email protected]) and Veronika Růžičková ([email protected]), 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