Scientific Sessions

Computational materials science involves using computer simulations and modeling techniques to understand and predict the properties, behavior, and performance of materials. This interdisciplinary field combines principles of physics, chemistry, and engineering with computational methods such as molecular dynamics, density functional theory (DFT), and finite element analysis (FEA). Applications of computational materials science range from designing new materials with specific properties to optimizing manufacturing processes and predicting material behavior under different conditions. It plays a crucial role in accelerating materials discovery, reducing development costs, and guiding experimental research. Challenges include refining simulation accuracy, scaling computational methods to handle large systems, and integrating experimental validation with theoretical predictions. Ongoing research focuses on advancing simulation algorithms, leveraging high-performance computing, and integrating machine learning techniques for data-driven materials design.