Regd. TiO2 interatomic potential

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1

Dear all,
I am trying perform high-energy collision simulations for TiO2 system. Can someone suggest me the best available potential that can be used?
The potential availed in NIST repository for Ti-O system has no oxygen-oxygen interaction.

Thank You.
Regards,
Abhinav Shukla
Senior Year Undergraduate
IIT Bhubaneswar

2

Hi
Try COMB3 potential which is relevant for TiO2.
Regards

Pascal Brault
DR CNRS
INSIS
GREMI UMR7344
CNRS-Université d’Orléans
+33631498790

3

Thanks, I’ll try it.