Quantum ESPRESSO at the exascale

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudo-potentials, and plane...

Quantum ESPRESSO 是一款面向量子力学材料建模的开源计算机代码套件，其依托密度泛函理论（density-functional theory）、赝势（pseudo-potentials）及平面波（plane...）相关方法。