UQUANTCHEM
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UQUANTCHEM AI Editor's Review
UQUANTCHEM is a mobile quantum chemistry application for calculating and visualizing molecular properties. It offers a user-friendly interface for setting up calculations and analyzing results, making it a valuable tool for students and researchers on the go.
Comprehensive Analysis
UQUANTCHEM provides a convenient platform for performing basic quantum chemistry calculations on mobile devices. Users can define molecules, select calculation methods, and visualize properties such as electron density. While it doesn't replace full-fledged desktop software, its portability and ease of use make it a handy tool for quick calculations and educational demonstrations. The interface is relatively straightforward, but familiarity with quantum chemistry concepts is essential for effective use. The app’s performance is adequate for small to medium-sized molecules.
Key Advantages
- Intuitive interface for setting up quantum chemistry calculations.
- Ability to visualize molecular properties directly on mobile devices.
- Useful for both educational and research purposes.
Areas for Improvement
- Limited functionality compared to desktop quantum chemistry software.
- May require a strong understanding of quantum chemistry principles.
The Description of UQUANTCHEM
Site Editorial Commentary：Modern universal quantum chemistry program.
Author of the code: petros SouvatzisHomepage: 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 ([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
