An effective method for generating crystal structures based on the variational autoencoder and the diffusion model
Chen Chen, Jinzhou Zheng, Chaoqin Chu, Qinkun Xiao, Chaozheng He, Xi Fu
Topics & Concepts
AutoencoderDiffusionStatistical physicsMathematicsComputer scienceAlgorithmApplied mathematicsMaterials sciencePhysicsArtificial intelligenceThermodynamicsArtificial neural networkX-ray Diffraction in CrystallographyCrystallization and Solubility StudiesMineral Processing and Grinding