2.-6.10.2017 : IWR School “Mathematical Methods for Quantum Chemistry”

October 2-6, 2017

Mathematikon, Heidelberg University, Heidelberg, Germany


Andreas Dreuw, Guido Kanschat, Michael F. Herbst, Michael J. Winckler

Text (from website):
The IWR school 2017 “Mathematical Methods for Quantum Chemistry” targets
young researchers from both the field of mathematics and of
computational chemistry. Starting with formal basic introductions into
both fields to level the ground and introduce the leading concepts and
models, the school quickly turns to key aspects of computational quantum
chemistry. It analyzes the structure of the underlying eigenvalue
problems and outlines and describes in detail numerical concepts of
modern algorithmic approaches to deal with these problems in an
efficient and error-controlled way. It then turns to basis set
representations to open the view into the interplay between mathematical
representation, computational treatment and research in quantum
chemistry. The theoretical lectures are complemented by hands-on
sessions to enable practitioners to make use of modern computation
facilities for fast solution of large problems.