Dear Sir or Madam,As far as we know, you are working with a quantum-mechanical simulation, such as VASP, SIESTA or GULP. Therefor you might be interested in the software called USPEX.
USPEX is a new program which was recently developed at the Swiss Federal Institute of Technology, ETH Zurich. It allows you to predict crystal structures at a given temperature and pressure. Through combination of evolutionary algorithms and quantum-mechanical simulations, it is not only faster but also is no initial guess needed. As a result researchers no longer have to predict starting structures because USPEX will do that. By selecting the fittest structures, optimizing them locally and then recombining them, USPEX is able to generate new structures with even lower free energy. This evolutionary process results in crystal structure that is stable under the given conditions.
For detailed technical information see attachment.
Within a first market survey we would like to know
* How often you are using quantum-mechanical simulation within a year
* If you are interested in USPEX
* If you prefer your own USPEX or a service which is calculating
data for you
If you are interested in the software please contact us.
We are looking forward to hearing from you.
Philipp Matzinger & Christoph Mäder
ETH Zurich
ETH transfer, HG E48.2
Raemistrasse 101
8092 Zurich, Switzerland
Phone: +41 44 632 61 65
Fax: +41 44 632 11 84
[EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
[EMAIL PROTECTED]
uspex.pdf
Description: Adobe PDF document
