Recent advancements in electronic structure calculations

Information

Date: 22.10.2025 - 24.10.2025
Organizers: Prof. Dr. Fabian Pauly
Abstract:

Functional materials are ubiquitous in our daily life. To tailor material properties, tools are needed that predict the properties accurately without free parameters, starting from the basic laws of quantum mechanics. The development of such tools is a goal of both theoretical solid-state physics and quantum chemistry. This workshop will bring together experts in electronic structure theory, especially the community of TURBOMOLE developers and users, to highlight selected applications, demonstrate new features and capabilities of the code, present new theoretical developments, identify new user needs, and discuss future directions.

Integrated into the CAAPS Workshop is the CAAPS Symposium “Electronic structure theory, quantum chemistry and quantum computing”, taking place in the evening of Wednesday, October 22, 2025.

Schedule

Will be given later.

Directions

University of Augsburg

Building I1
Universitätsstraße 12
86159 Augsburg

Germany

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