Rust-based Electronic-Structure Toolkit (REST), aiming at an efficient computational platform for state-of-the-art DFT and WFT methods in the AI era
最近更新: 14小时前The X2-PEC method, the second generalization of the X series of ANN methods, developed in Xinxu's group, utilizes pairwise-energy-correction (PEC).
最近更新: 1年多前