AI4ChemMat Hands-On Series

Full day hands-on workshop (Online)

Full day hands-on workshop


Zoom will be used for this virtual hands-on training session.
Alvaro Vazquez Mayagoitia (Argonne National Laboratory)

We will be holding a virtual hands-on training series to create a common ground in the chemistry and materials science community to discuss and learn basic elements of AI/ML and prepare the participants to identify opportunities for adoption of this technology. Overall, this workshop would foster the discussion of AI/ML among ANL and external collaborators, and, more importantly, spark new inter divisional collaborations. This workshop would promote teamwork by solving small projects in groups. This workshop would be divided into about 6 presentations during the summer of 2023. Each lecture would be composed of an introductory presentation and a hands-on session, for about 90 min total.

 It will be an interactive event with various invited speakers.


Here is a link outlining the program.

The seminar series is organized by:

  • Alvaro Vazquez Mayagoitia, Computational Scientist - Chemistry and Materials Science, CPS Division, Argonne National Laboratory.
  • Ganesh Sivaraman, University of Illinois.
  • Murat Keçeli, CPS Division, Argonne National Laboratory.


The virtual seminars will tentatively begin the second week of July, 2023.

Dates:   Wednesdays August - November at 10:30 am CT.


Agenda and Zoom links will be sent to registered participants two days before the meeting.


  • Esther Heid, Technical University of Vienna
  • Hyun Park, Argonne National Laboratory & University of Illinois at Urbana - Champaign Campus.
  • Daniil Boiko, Carnegie Mellon University.
  • Lars Leon Schaaf, University of Cambridge.
  • Aikaterini Vriz, Argonne National Laboratory
  • Venkata Surya Chaitanya Kolluru, Argonne National Laboratory


Participants are expected to have basic working knowledge on basics of Machine Learning, scientific computing, among others.

AI4ChemMat Hands-On Series