Join us for the 3rd PySCF Conference, a two-day summit full of talks, workshops and activities.
The Python based Simulations of Chemistry Framework is a widely used quantum chemistry library. The original intention behind it was to create a framework that supports not only the traditional quantum chemistry paradigm where the user supplies an input file and reads the calculation output, but also the development of new quantum chemistry capabilities. Significant advancements in the capabilities in PySCF have been made in recent years by a community of more than a hundred developers and thousands of users. This conference brings together PySCF developers and users and facilitates a discussion of what we want to achieve as a community in the next decade, with special focus on high throughput calculations, emergence of new computing hardware, programming libraries and paradigms and relevance in the chemistry, material science, and AI-for-science community.
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