Computational modeling of materials: from atomistic properties to new functionalities. University of Antwerp
Katholieke Universiteit Leuven, Pennsylvania State University, Izmir Institute of Technology, Federal University Ceara, Shahid Rajaee University, IMEC, Catholic University of Louvain, Université d'Orléans, Ghent University, University of Liège, University of Camerino, Electron microscopy for materials research (EMAT)
Computational modeling is an essential factor in the study of the properties of materials. Nowadays, computational modeling is extensively used to predict and develop new materials. This requires a thorough knowledge of the local atomic (structural and electronic) structure and its influence on the macroscopic properties. Although, in principle, all materials can be described with the laws of quantum mechanics, it is impossible in practice to ...