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Mathematical Methods in Quantum Chemistry

dc.date.accessioned2025-05-26T09:54:58Z
dc.date.available2025-05-26T09:54:58Z
dc.date.issued2025
dc.identifier.urihttp://publications.mfo.de/handle/mfo/4259
dc.description.abstractQuantum chemistry focuses on modelling and simulating the behaviour of molecular systems using the fundamental principles of quantum mechanics. However, the underlying equations, such as the Schrödinger equation for computing the ground state of $N$ electrons, which is a partial differential equation defined on $\mathbb{R}^{3N}$, suffer from the curse of dimensionality. As a result, simulating even moderately sized molecules demands advanced techniques in analysis, approximation and reduced-order modelling for overcoming the naive computational complexity. In this workshop, the rapidly growing mathematical community working in the field together with several quantum chemists and physicists were gathered to discuss recent advances in areas such as (1) the mathematical and numerical analysis of standard models used in the field, including Density Functional Theory, Coupled Cluster, and the Density Matrix Renormalization Group (2) the development of efficient numerical methods, relying e.g. on the development of error bounds and (3) the opportunities of recent data-driven methods towards the approximation of wavefunctions or density matrices.
dc.titleMathematical Methods in Quantum Chemistry
dc.rights.licenseDieses Dokument darf im Rahmen von § 53 UrhG zum eigenen Gebrauch kostenfrei heruntergeladen, gelesen, gespeichert und ausgedruckt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden.de
dc.rights.licenseThis document may be downloaded, read, stored and printed for your own use within the limits of § 53 UrhG but it may not be distributed via the internet or passed on to external parties.en
dc.identifier.doi10.14760/OWR-2025-15
local.series.idOWR-2025-15
local.subject.msc81
local.subject.msc65
local.date-range09 Mar - 14 Mar 2025
local.workshopcode2511
local.workshoptitleMathematical Methods in Quantum Chemistry
local.organizersGeneviève Dusson, Besançon; Michael Herbst, Lausanne; Benjamin Stamm, Stuttgart
local.report-nameWorkshop Report 2025,15
local.opc-photo-id2511
local.publishers-doi10.4171/OWR/2025/15


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