摘要
一位新闻记者-机器人与机器学习的工作人员新闻编辑每日新闻-机器学习的新研究是一篇报告的主题。根据NewsRx记者在浙江的新闻报道，我们提出了一个基于Landau-Zener-Belyaev-Lebedev算法的开放源码MLATOM@XACS软件生态系统，该系统可以通过Python API用广泛的量子力学(QM)和机器学习(ML)方法，包括从头算QM(CASAMCF和ADC(2)、半经验QM(SemPM3、OMx和ODMx），以及许多类型的ML电位（如KREG、ANI和MACE）。
Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New research on Machine Learning is th e subject of a report. According to news reporting from Zhejiang, People's Repub lic of China, by NewsRx journalists, research stated, "We present an open-source MLatom@XACS software ecosystem for on-the-fly surface hopping nonadiabatic dyna mics based on the Landau-Zener-Belyaev-Lebedev algorithm. The dynamics can be pe rformed via Python API with a wide range of quantum mechanical (QM) and machine learning (ML) methods, including ab initio QM (CASSCF and ADC(2)), semiempirical QM methods (e.g., AM1, PM3, OMx, and ODMx), and many types of ML potentials (e. g., KREG, ANI, and MACE)."
NETL
NSTL