In this case study we hear from Oskar Soulas, a PhD student in Chemistry, who has been using BlueBEAR to investigate lithium–sulphur–nitrogen solid electrolytes for next-generation battery technologies. I am a second year PhD student in the Scanlon Materials Theory Group (SMTG) based at the University of Birmingham. The group uses powerful computational tools to understand … Continue reading “Atomic Simulation to Build Better Batteries”
Tag: DFT
Modelling defects in inorganic phosphor crystals
In this case study we talk to Maryia Shymanovich, a PhD student in Chemistry, whose project focuses on the computational analysis of the defects in inorganic phosphor materials for solid-state lighting applications. I am a second-year PhD student in Professor David Scanlon’s (School of Chemistry) group, and my research project focuses on the computational analysis of … Continue reading “Modelling defects in inorganic phosphor crystals”
Studying battery materials using high performance cluster BlueBEAR
In this case study, we hear from Sandeep Das (based at the School of Chemistry), who has been utilising BEAR to design novel Li-ion battery materials. I am a postdoctoral researcher and computational chemist in the Scanlon Materials Theory Group based at the School of Chemistry, University of Birmingham. My research is currently focussed on … Continue reading “Studying battery materials using high performance cluster BlueBEAR”