Disputation: Fabian Maximilian Faulstich
Msc. Fabian Maximilian Faulstich at the Department of Chemistry, Faculty of Mathematics and Natural Sciences, is defending the thesis « Mathematical Aspects of Coupled-Cluster Theory in Chemistry » for the degree of Philosophiae Doctor.
The University of Oslo is still partly closed due to the Pandemic. The Disputation will therefore be live streamed using Zoom.
The Chair of Defense will lead the Disputation and the Defense technician will solve technical issues.
Ex auditorio questions: The Chair of Defense will invite the audience to ex auditorio questions. These can be asked orally, by clicking "Participants - Raise hand" in the Zoom menu. The Zoom-host will grant you to speak in the meeting.
Order the Dissertation as PDF from this email address with the name of the Candidate: email@example.com
25th. of June 14:15 AM, Zoom
"The DMRG method in physics, chemistry and mathematics".
I denne oppgaven undersøker vi den såkalte tailored coupled cluster-metoden fra et matematisk synspunkt. Vi viser lokal konvergens og et kvadratisk a priori feilestimat. Videre fremhever vi viktigheten av Gårdings ulikhet i sammenheng med ikke-koersive bilinære former, slik som den svake elektroniske Schroedinger-formen.
Main research findings
The increase in computational power and the substantial advances in in silico method development of the past decades have promoted computational chemistry, in particular quantum chemistry, to a central branch of modern chemistry. Quantum-chemical simulations are today routinely performed by thousands of researchers in chemistry and related areas of research, complementing painstaking and costly laboratory work. Important examples are the design of new compounds for sustainable energy, green catalysis, and nanomaterials.
While the underlying mathematical theory is, on a fundamental level, well-described, its governing equation, namely, the many-body Schrödinger equation, remains numerically intractable. The fermionic many-body problem poses one of today's most notorious computational challenges. Over the past century, numerous numerical approximation techniques of various levels of cost and accuracy have been developed. One of the most successful approaches is coupled-cluster theory, a cost-efficient high-accuracy method, which is subject of this thesis.