[TCOD] The OQMD

[Saulius Gražulis]

Hi, folks,

a day ago I have listened to the talk about the OQMD database:

http://oqmd.org/

Well, actually, Stefaan mentioned it in his excellent review e-mail 
(2013-09-06 12:02) on this list, but that time there was apparently no 
public access to the DB. Now there is :).

The DB is very mature and is completely open -- so good to look at and 
tp collaborate with. I got in touch with Chris Wolverton, and we will 
discuss over the e-mail how to get the TCOD and OQMD cooperating nicely 
(unfortunately, Chris had to leave the conference early, so we could not 
speak in person).

The TCOD's role in this situation could be to present computations in a 
standardized, CIF format from various groups. In this sense TCOD could 
be a useful complement for the computation-first databases, and would 
provide means to search and analyze computation results made by various 
groups and researchers (which is the primary TCOD intent). In any case, 
the OCMD data should be represented and referenced to in TCOD as well, 
what do you think?

Have a look, and stay tuned -- and your thoughts are welcome.

Regards,
Saulius

-- 
Saulius Gražulis

Biotechnologijos institutas
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