GAP interatomic potential for SnOx nanoparticles

Gaussian approximation potential (GAP) for SnOx nanoparticles. It has been fitted with QUIP/GAP by generating a new database of atomic structures containing:
1. dimers Sn-Sn, Sn-O, O-O;
2. Sn, SnO, SnO2 bulk structures;
3. surface slabs;
4. nanoparticles (SnO_(93.8-81.3)%, SnO_50%, SnO_(19-3.1)%, Sn)
The calculations were carried out at the PBE level of theory using the VASP code. This potential uses 2-body (distance_2b) and SOAP-type descriptors (soap_turbo). The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and TurboGAP.

This is the reference publication for this potential: Junjie Shi, Paulina Pršlja*, Benjin Jin, Milla Suominen, Jani Sainio, Hua Jiang, Nana Han, Daria Robertson, Janez Košir, Miguel Caro, and Tanja Kallio*. "Experimental and Computational Study Towards Identifying Active Sites of Supported SnOx Nanoparticles for Electrochemical CO2 Reduction Using Machine-Learned Interatomic Potentials". Small 2024, 2402190