Exploring DFT+U parameter space with a Bayesian calibration assisted by Marko...

Density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to...密度泛函理论（Density-functional theory）被广泛应用于预测材料的物理性质。然而，其对于强关联材料（strongly correlated materials）通常效果欠佳，当前主流的解决方案为……