The new XACS cloud computing with Linux terminal, file manager, and more is now available!

We will release a brand new MLatom 3 with tons of new features including more simulation options, Python API for user-customized workflows, and its integration into XACS cloud computing with the online terminal.

We are happy to announce that a brand new XACS cloud computing with tons of new useful features is tentatively scheduled to be released on September 11.

Pavlo O. Dral教授课题组近期引入了一个概念，即：使用四维（4D）时空原子人工智能（AI）模型学习分子随时间的变化。通过开发4D时空GICnet模型证明这个概念是可行的。与传统动力学不同的是，该模型可以直接预测分子的原子坐标以作为时间的连续函数，而传统分子动力学是在离散的时间步长上，通过缓慢连续、一次一步的算法来预测核坐标。

Pavlo O.Dral教授近期与其他学者共同编写了章节“Machine learning methods in photochemistry and photophysics”，描述了机器学习（ML）的基本原理和ML在光化学和光物理中的应用。