Title:	MXene functionalization
DNr:	SNIC 2015/1-153
Project Type:	SNIC Medium Compute
Principal Investigator:	Per Eklund <per.eklund@liu.se>
Affiliation:	Linköpings universitet
Duration:	2015-04-30 – 2016-05-01
Classification:	10304
Keywords:

Abstract

We need more calculation time to continue our project on simulating the properties of MXene phases which is currently ongoing within SNIC 2015/4-15 using VASP. We have already had an article submitted and the project is ongoing for the second submission for which we need more time than the current 5000 core.hour/month on triolith due to large supercells we use.