Glad to talk to many keen pupils and their supportive parents. Pupils played with various molecules from small pharmaceutical drug molecules to large biological proteins as the disease target, carbon-based materials from graphene to carbon nanotube, and also explored chemical reactions from simple organic reactions to complex biocatalytic processes in virtual space. Computational simulations help us better understanding structure-function relationships, enabling the rational design of functional molecules to tackle real-life challenges in healthcare, green technology, and sustainable development.