The SAINT Project - Materials Chemistry - University College London

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Welcome to the homepage for our toolkit and database for atomic structures and reactivity of surfaces.

SAINT, or more specifically the Surface And Interface Toolkit for the Materials Chemistry Community, is the name of our EPSRC five-year funded project (grant number EP/P022235).

For more details of the SAINT project click here

To access our SAINT web interface click here

To get more information on CHEMSHELL (software for embedding, which we have extended to include plane-wave codes) click here

To get more information on CP2K (software for electronic structure, which we have extended for modelling excited surface states) click here

To get more information on CRYSTAL (software for electronic structure, which we have employed within the SAINT software) click here

To get more information on the software developed for correcting surface energies, please contact us.

For details on the investigators of the SAINT project click here

PUBLICATIONS:
Below we aim to list publications that cite grant number EP/P022235 because the paper either describes the software developed or the research that has benefited from the use of the developed software.

FINANCIAL SUPPORT:
We are grateful for EPSRC support.

SAINT

Toolkit and Database for atomic structures and reactivity of surfaces