Materials can simultaneously absorb not just one but two photons and molecules with strong two-photon absorption …
Explaining and Predicting Two-Photon Absorption with Machine Learning Read more →
We are happy to announce that our brand-new manual for MLatom@XACS is now online at http://mlatom.com/manual/. Our …
Recently, Machine Learning (ML) is increasingly used for fast and accurate propagation of quantum dissipative dynamics …
Mario Barbatti, his group and collaborators published an update on Newton-X – a popular open-source platform…
MLatom@XACS team introduced how to use machine learning in chemistry in the CECAM Machine Learning and Quantum …
Tutorial on ML in CECAM school MLQCDyn featuring MLatom@XACS Read more →
We used our MLatom package to develop a machine learning approach for designing materials based on …
Materials design with MLatom for ammonia separation and storage Read more →
We are very happy to announce that MLatom joins Xiamen Atomistic Computing Suite (XACS) which allows …
In our work published in the Journal of Physical Chemistry Letters, we investigate the performance of …
Our AIQM1 paper is one of the 25 most downloaded Nature Communications articles in chemistry and …
In the work published in New Journal of Physics, we combine machine learning (ML) with the …
Speeding up quantum dissipative dynamics of open systems with kernel methods Read more →