Dr. Vijay Kumar Foundation  

COMING SOON..........

            nanoVASP is an automation package to perform ab initio calculations on clusters and nanoparticles using VASP code. This automation package has been developed by Dr. Vijay Kumar Foundation (VKF) and is marketed by Nanovate Technologies Private Ltd. It provides smooth and user interactive interface to prepare the input files for VASP, execute VASP, and then analyze results. The user would need a separate license for VASP that should be obtained from the developers of VASP. nanoVASP is completely independent from VASP but it provides automation to run jobs for VASP. It would be more useful to those users who may find difficult to use VASP and may want do more task in a short time in a very smooth manner. Also it is meant for large scale materials informatics to prepare and run a large number of jobs for a given material to understand the property variation as a function of size as well as selected different isomers and to design the desired nanomaterials.

Some key highlights of nanoVASP are:

1. With the help of nanoVASP one can run several jobs for clusters and/or nanoparticles at a time.
2. All input files of VASP are prepared by this software.
3. You can perform electronic and/or ionic optimization.
4. You can perform molecular dynamics.
5. You can calculate property of a desired cluster/nanoparticle that can be calculated using VASP.
6. An extensive data base of structures including possibilities of generating nanoparticles of different crystal structures.
7. You can get an analysis of all the results of calculations.
8. You can get structure view with the help of some open source program like Xcrysden and many more as well as make an animation of the simulation.


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