https://www.selleckchem.com/products/ly333531.html
Crystal structure prediction (CSP) for inorganic materials is one of the central and most challenging problems in materials science and computational chemistry. This problem can be formulated as a global optimization problem in which global search algorithms such as genetic algorithms (GAs) and particle swarm optimization have been combined with first-principles free-energy calculations to predict crystal structures given only the material composition or a chemical system. These DFT-based ab initio CSP algorithms are computationally de
Like
Comment
Share
