Postdoc in first-principles modelling and machine-learned force fields for correlated disorder in energy materials

Official occupation: Post doc., naturvidenskab og teknik. Employment conditions: Almindelige vilkår. Employer CVR: 31119103.

Primary career market

Public Sector, Education & Impact (occupation evidence). The Center for Sustainable Energy Materials (CENSEMAT) at the Department of Chemistry, Aarhus University, invites applications for a 24-month postdoctoral position in computational materials chemistry.

The successful candidate will be employed by Aarhus University and primarily stationed in the Research Unit of Theoretical Chemistry at the Institute of Materials Chemistry, TU Wien, in the group of Prof. Georg Madsen, with regular shorter research stays at Aarhus University.

The project combines density functional theory (DFT), machine-learned force fields and atomistic simulations to uncover how correlated structural disorder controls transport and other functional properties in energy materials. The position is available from the 1st of February 2027 or as soon as possible thereafter.

Project description CENSEMAT investigates crystalline energy materials in which non-random local deviations from the average structure play a decisive role. The postdoc will develop atomistic models that connect local chemical environments and correlated disorder to thermodynamic stability and transport1 …