The Gagliardi Group was pleased to welcome the 3rd PySCF Conference, hosted by Prof. Laura Gagliardi at the University of Chicago. The two-day conference brought together members of the growing PySCF community, including developers and users from across the quantum chemistry, materials science, and computational science communities.
The Python-based Simulations of Chemistry Framework (PySCF) is a widely used open-source quantum chemistry library. Originally developed as a framework not only for performing traditional quantum chemistry calculations, but also for enabling the development of new quantum chemistry capabilities, PySCF has grown into a vibrant community-driven platform. In recent years, more than one hundred developers and thousands of users have contributed to and benefited from its expanding capabilities.
The conference provided an opportunity for PySCF developers and users to come together, exchange ideas, and discuss the future of the community. Particular attention was given to the challenges and opportunities that will shape the next decade of computational chemistry, including high-throughput calculations, emerging computing hardware, new programming libraries and paradigms, and applications across chemistry, materials science, and AI for science.
Throughout the two days, participants shared recent developments, discussed new directions for the PySCF ecosystem, and explored how the community can continue to advance computational methods and make them accessible to researchers across disciplines.
Prof. Laura Gagliardi and the Gagliardi Group were delighted to host this important meeting at the University of Chicago and to contribute to the ongoing development of the PySCF community. The discussions highlighted both the remarkable progress of the framework and the exciting possibilities ahead as quantum chemistry increasingly intersects with new computational technologies and approaches to scientific discovery.
We thank all of the speakers, developers, users, and participants who joined us for the 3rd PySCF Conference and helped make the meeting a productive and inspiring event.
