The 6-volume set constitutes the worshop proceedings of the 25th International Conference on Computational Science, ICCS 2025, which took place in Singapore, Singapore, during July 7–9, 2025. The 137 full papers and 32 short papers presented in these proceedings were carefully reviewed and selected from 322 submissions. The papers are organized in the following topical sections:Volume I:Advances in high-performance computational earth sciences: numerical methods, frameworks & applications; artificial intelligence approaches for network analysis; artificial intelligence and high-performance computing for advanced simulations; and biomedical and bioinformatics challenges for computer science. Volume II:Computational health; computational modeling and artificial intelligence for social systems; and computational optimization, modelling and simulation. Volume III:Computational science and AI for addressing complex and dynamic societal challenges equitably; computer graphics, image processing and artificial intelligence; computing and data science for materials discovery and design; and large language models and intelligent decision-making within the digital economy. Volume IV:Machine learning and data assimilation for dynamical systems; and multi-criteria decision-making: methods, applications, and innovations. Volume V:(Credible) Multiscale modelling and simulation; numerical algorithms and computer arithmetic for computational science; quantum computing; retrieval-augmented generation; and simulations of flow and transport: modeling, algorithms and computation. Volume VI:Smart systems: bringing together computer vision, sensor networks and artificial intelligence; solving problems with uncertainty; and teaching computational science.