Heterogeneous catalysis ?

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
gonze
Posts: 412
Joined: Fri Aug 14, 2009 8:29 pm

Heterogeneous catalysis ?

Post by gonze » Tue May 04, 2010 9:53 am

Has anybody already used ABINIT to study heterogeneous catalysis ?
I know the strengths of ABINIT are not in this area, but
a reference to a published paper would be nice ...
Xavier
Top
woffermans
Posts: 41
Joined: Fri Jun 01, 2018 8:22 am
Contact:
Contact woffermans

Re: Heterogeneous catalysis ?

Post by woffermans » Fri Jun 01, 2018 10:22 am

Is there any news or progress related to this issue/question?

I'm going to build up a new infrastructure for modelling at VITO and I'm evaluating different codes.
Top
woffermans
Posts: 41
Joined: Fri Jun 01, 2018 8:22 am
Contact:
Contact woffermans

Re: Heterogeneous catalysis ?

Post by woffermans » Thu Sep 13, 2018 9:02 am

Anyone?
Top
Locked

Return to “Ground state”