Molecular Raman spectra can now be calculated online with MLatom on the XACS cloud computing platform* using a simple input file.

最近，苏培峰课题组将QM/MM方法与GKS-EDA相结合，提出了GKS-EDA(QM/MM)，用于大分子体系的相互作用，工作发表在J. Phys. Chem. A。

GICnet models are analytical representation of molecules and chemical reactions in four-dimensional spacetime!

第三届化学键与AI分子模拟XACS研讨会（XACSW-2024）在郑州大学成功举办。

Here we will show how to perform simulations of ambimodal reactions routinely and accurately within one–two hours online!