First-principles and machine learning investigations into the atomic and mechanical properties of cement hydrates

Concrete is the second most used substance in the world after water, with more than 35 billion tonnes produced annually. Yet, understanding the atomic and mechanical properties of its principal component, calcium-silicate-hydrate (C-S-H)—the complex binder phase of concrete—remains a considerable ch...

• Main Author: Balarezo Balarezo, Juan Gabriel (author)
• Format: bachelorThesis
• Published: 2025
• Subjects: Teoría del Funcional de Densidad; Aprendizaje automático; Campos de fuerza; Density Functional Theory; Machine learning; Force fields
• Online Access: https://repositorio.yachaytech.edu.ec/handle/123456789/1025