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USPEX downloads

USPEX_v10.3 is available now. If you would like to obtain our code for your research use, please register.

We suggest that new users go through the USPEX tutorial and carefully study the Manual. USPEX developers cannot take any responsibility from careless use of the code.

There are simple terms that users must agree to:

  1. The code is given to an individual researcher (not a group or institution), users are not allowed to distribute the code.
  2. Users are not allowed to disassemble, decompile, or reverse engineer USPEX. Users are not allowed to alter or remove any proprietary or other legal notices in copies of USPEX.
  3. Citations to the original USPEX publications must be present in all papers that used USPEX:
    • Oganov A.R., Glass C.W. (2006). Crystal structure prediction using ab initio evolutionary techniques: principles and applications. J. Chem. Phys. 124, art. 244704.
    • Oganov A.R., Lyakhov A.O., Valle M. (2011). How evolutionary crystal structure prediction works - and why. Acc. Chem. Res. 44, 227-237
    • Lyakhov A.O., Oganov A.R., Stokes H.T., Zhu Q. (2013). New developments in evolutionary structure prediction algorithm USPEX. Comp. Phys. Comm. 184, 1172-1182.
  • Version 9.4.4 is now distributed under modified BSD license.
  • Versions 9.4.3 and below are now obsolete.
  • If you have registered, we highly recommend you join our User Forum where all technical questions should be asked. Questions that were not answered on the User Forum, and questions related to the use of USPEX by companies should be addressed to This email address is being protected from spambots. You need JavaScript enabled to view it.. Bug reports (if you are sure that these are bugs) should be sent to USPEX team If you experience any problems with registration or download, please contact the This email address is being protected from spambots. You need JavaScript enabled to view it..