Computer aided design of innovative materials
The evolution towards a future based on renewable energies and advanced electronic devices demands application-specific materials. Hence, targeted in silico searches across chemical space are emerging as critical tools to accelerate materials discovery. This symposium addresses some of those efforts providing new insights in materials discovery and on their porting in industrial contexts. Ushered by advances in statistics and computational power, a new kind of dynamics between theory and experiment is emerging in materials science, with the potential to accelerate materials discovery to meet the increased demand for task-specific materials. This new approach enables the exploration of large areas of chemical space in search of good candidate materials with optimal values of a target property. The heightened demand for automation, advanced analysis and predictive capabilities inherent to this new method put it in an especially exciting crossroads between chemistry, mathematics and computational science.