First-principles modeling has become an increasingly important area in solid-state chemistry, physics, and materials science. Nowadays, electronic structure software packages enable the study of a wide range of solid-state properties—including structural, electronic, spectroscopic, thermodynamic, optical and elastic characteristics—making these tools accessible to a rapidly growing community of users. These include both specialized researchers, such as theoretical and computational chemists and physicists, as well as non-specialized users, including materials scientists, crystallographers, geologists, and solid-state chemists and physicists.

MSSC2025 aims at providing a robust theoretical basis for understanding the key methodologies and approximations underpinning modern first-principles solid-state computational tools, and guidance on using both standard and advanced features of the CRYSTAL software in practice.