Support
Contact us
Send an email to Pavlo Dral: dral@xmu.edu.cn
or better join our Slack workspace.
You can also register at https://XACScloud.com and receive email updates on the main news.
Social media pages
Follow the social media pages of related community accounts for updates:
- Facebook: Machine learning in chemistry group.
- Twitter: Machine learning for quantum chemistry.
- MLatom@XACS also has WeChat official account (search for XACS厦门原子计算套件) or scan the QR code:
Tutorials & Manuals
Check our manual and tutorials:
- best to get started with ML and MLatom: tutorial for CECAM school MLQCDyn
- very short introduction to get started with MLatom: introduction to MLatom@XACS cloud computing
- step-by-step tutorial for MLatom@XACS cloud computing
- using AIQM1
- accurate and fast calculation of enthalpies of formation with uncertainty estimates
- benchmarking machine learning potentials
- simulating absorption spectra with ML-nuclear ensemble approach
- examples to get started in using ML for quantum chemistry from Chapter 11 Quantum Chemistry Assisted by Machine Learning in Advances in Quantum Chemistry: Chemical Physics and Quantum Chemistry, Volume 81
- using MLatom GUI
Workshops
Attend our upcoming workshops or check out available materials for the past workshops:
- 2024 – tentatively July, The Third XACS workshop, to be announced.
- 2024-01-24 ML Chemical Physics Simulations Done Easy with MLatom@XACS. Aix Marseille University, Marseille, France, January 24, 2024. (related tutorial materials to be available soon)
- 2023-12-06 Practical introduction to machine learning in chemical physics with MLatom@XACS, Institute of Physics of Nicolaus Copernicus University in Toruń, Poland
- 2023-05-12 to 2023-05-16: The second XACS workshop, held at Xiamen University, on May 12–16, 2023
- 2022-09-05 to 2022-09-09: CECAM school MLQCDyn (tutorial)
- 2022-04-22 to 2022-04-24: The First XACS Workshop