Interface Morphology Prediction with Robust and Efficient Structure Search (IMPRESS)
Aalto University, Finland, 7-9 June 2017
Organisers: Dr Milica Todorović (Aalto University, Finland), Dr Oliver T. Hofmann (Technical University of Graz, Austria), Prof. Patrick Rinke (Aalto University, Finland)
Funding: CECAM, Psi-K, NOMAD CoE, Aalto University CMMP doctoral network
Introduction
Determining or predicting the structure of organic ensembles on surfaces is a challenging problem that occupies basic science and engineering alike. Recently, novel machine-learning approaches have started to compete with more traditional, stochastic methods, such as basin hoping or simulated annealing. In IMPRESS, we took an interdisciplinary stance and brought together assorted experts to focus on the challenges of organic/inorganic interfaces: this is the first workshop to unite different electronic structure methods, structure search approaches and machine learning.