Title:	Ab-initio Calculations and Molecular Dynamics Simulations for the Design of Advanced Materials
DNr:	NAISS 2023/2-12
Project Type:	NAISS Large Storage
Principal Investigator:	Lars Hultman <larhu@ifm.liu.se>
Affiliation:	Linköpings universitet
Duration:	2023-07-01 – 2024-07-01
Classification:	10304 20501
Keywords:

Abstract

We apply for prolonged project storage (along with our NAISS Large Compute Spring application NAISS 2023/1-20) to promote successful theoretical research around the Thin Film Physics environment at Linköping University with more than 15 theoretical researchers pursuing computation. We have consistently, over a number of years, proven that we use allocated resources in an efficient and productive manner resulting in a large number of scientific publications and recognition in the form of prestigious grants from VR, SSF, Linköping University, Swedish Government’s SFO, KAW foundation, and more. Our Hallmark is to use state-of-the-art theory and supercomputer resources and data storage, hand in hand with experimental synthesis and characterization, to resolve scientific problems, discover novel materials, and enable novel advanced nanostructured material’s applications, ranging over such broad areas as energy storage and production, neutron detector materials, structural materials, hard protective coatings, piezo- and thermoelectric applications, and magnetic storage media and sensors.