TREX Workshop in Lodz University

Exploring Quantum-Chemical Methods for Strongly Correlated Systems: Insights from the TREX Workshop

14 July 2023

The TREX Workshop on Quantum-Chemical Methods for Strongly Correlated Systems took place from 18-20 April 2023 at the Institute of Physics, Lodz University of Technology in Poland. The workshop aimed to provide participants with an in-depth exploration of the latest developments in electronic structure methods for strongly correlated systems. With a focus on theoretical and computational methods, including high-performance computing and machine learning, the event aimed to enhance participants' understanding and practical skills in this complex field.

Workshop Highlights

The workshop featured a well-designed program that combined lectures, tutorials, and hands-on sessions, ensuring a comprehensive learning experience. Participants had the opportunity to learn from expert speakers and tutors who covered a wide range of topics, including multireference description, dynamic correlation energy, and the application of machine learning algorithms in predicting physical properties of materials. The hands-on sessions allowed participants to gain practical experience using open-source TREX flagship codes like NECI, Quantum Package, and GammCor, enabling them to understand the theories implemented in these programs and apply them to their own research.

Participant Feedback and Experiences

The feedback received from the participants reflected their overall satisfaction with the workshop and highlighted several positive aspects. The combination of lectures and tutorials was highly appreciated, providing a balanced approach to learning. Participants found the lectures informative and interesting, and they commended the competence of the speakers and tutors. 

It was a great workshop and very helpful. I really appreciate the effort in organizing this workshop. The lectures were informative and interesting. It is very helpful for my research.

The opportunity to interact with teaching assistants during hands-on sessions was particularly valued, as it allowed for personalised guidance and the freedom to ask questions. The practical part and the ability to try all the codes were also cited as valuable aspects of the workshop, giving participants the confidence to utilise the presented codes in their future research.

The best thing about TREX-Workshop was the ability to use all the programmes presented. As a result, I am definitely keen to include these programmes in my further research. Furthermore, the resulting TREXIO library is a great tool that should be disseminated.

I liked the fact that I could learn a bit how different codes work, what methods people do to do their calculations and how they program it. It would be very easy now for me to try to use the presented codes myself.

The machine learning sessions stood out as a highlight for many participants, showcasing the power of this emerging technique in the field of strongly correlated systems. Additionally, the discussions with other participants fostered knowledge exchange and networking opportunities, enriching the overall experience.

Looking Ahead

The workshop successfully fulfilled its objective of providing advanced training and fostering a collaborative learning environment.  The positive feedback and experiences from the workshop participants serve as a testament to the success of the TREX project in promoting knowledge sharing and skills development in the HPC community. Building on this achievement, future events organised by the TREX project are eagerly anticipated, with the aim of continuing to empower researchers and advancing the boundaries of quantum-chemical methods for strongly correlated systems.

You can download the presentations here. See you at the next TREX event!