Computational Materials Science (journal)

Computational Materials Science is a scientific journal that focuses on the application of computational methods and techniques to study materials properties and behaviors. The journal publishes original research articles, reviews, and technical notes that contribute to the understanding of materials through computational approaches, including but not limited to: 1. **Molecular Dynamics Simulations**: Studying the physical movements of atoms and molecules. 2. **Density Functional Theory (DFT)**: Quantum mechanical modeling methods used to investigate the electronic structure of materials.