About
- Academic interests: mathematical quantum chemistry
- Research: Andre’s research interest is mathematical quantum chemistry. During his PhD he worked on the mathematical formulation of density-functional theory for systems included magnetic fields. After that Andre focused for many years on coupled-cluster theory and its many variants and with a special interest to be able to describe also excited states and not just the ground state. Most central to Andre´s research at the moment is the Moreau-Yosida regularization and its application in density-functional theory.
- Current projects: PI of two projects REGAL (ERC funded) and CCerror (RCN funded). The ERC funded project REGAL (https://uni.oslomet.no/regal/) started Sept. 2022. The aim of this project is to investigate density-functional theory in a lossless (Moreau-Yosida) regularized setting.
- Academic Degrees (from Royal Institute of Technology, Stockholm, Sweden):
- Master of Science in Biotechnology (September 2008, final grade: 5.0/5.0, Thesis 5.0/5.0)
- Ph.D in applied mathematics (June 2014, supervisor: M. Benedicks, co-supervisors: A. Szepessy and O. Vahtras)
- Teachings:
- Spring 2023: MEK2200 Statistics and Risk Management
- Autumn 2023: ACIT4310 Applied and Computational Mathematics
Fields of study
Academic disciplines
Theoretical chemistry, quantum chemistry Physics Applied mathematics Condensed matter physics Mathematic modelling and numerical methods Electromagnetism, acoustics, optics
Subject areas
Research groups
Research projects
Ongoing research projects
-
REGAL
The project researches Moreau-Yosida regularization in density-functional theory (DFT). Of particular interest is Kohn-Sham-DFT that uses one-particle orbitals to represent the one-body density.
Publications and research
Scientific publications
Csirik, Mihaly Andras
;
Laestadius, Andre
;
Tellgren, Erik
(2024).
Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs.
Journal of Mathematical Physics.
Vol. 65.
https://doi.org/10.1063/5.0198786
Bakkestuen, Vebjørn Hallberg
;
Falmår, Vegard
;
Lotfigolian, Maryam
;
Penz, Markus
; Ruggenthaler, Michael;
Laestadius, Andre
(2024).
Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model.
arXiv.org.
https://doi.org/10.48550/arXiv.2411.15256
Bakkestuen, Vebjørn Hallberg
;
Csirik, Mihaly Andras
;
Laestadius, Andre
;
Penz, Markus
(2024).
Quantum-electrodynamical density-functional theory for the Dicke Hamiltonian.
arXiv.org.
https://doi.org/10.48550/arXiv.2409.13767
Herbst, Michael F.;
Bakkestuen, Vebjørn Hallberg
;
Laestadius, Andre
(2024).
Kohn-Sham inversion with mathematical guarantees.
arXiv.org.
https://doi.org/10.48550/arXiv.2409.04372
Laestadius, Andre
;
Csirik, Mihaly Andras
; Penz, Markus; Tancogne-Dejean, Nicolas; Ruggenthaler, Michael; Rubio, Angel; Helgaker, Trygve
(2024).
Exchange-only virial relation from the adiabatic connection.
Journal of Chemical Physics.
Vol. 160.
https://doi.org/10.1063/5.0184934
Tancogne-Dejean, Nicolas; Penz, Markus;
Laestadius, Andre
;
Csirik, Mihaly Andras
; Ruggenthaler, Michael; Rubio, Angel
(2024).
Exchange energies with forces in density-functional theory.
Journal of Chemical Physics.
Vol. 160.
https://doi.org/10.1063/5.0177346
Faulstich, Fabian M.; Kristiansen, Håkon Emil;
Csirik, Mihaly Andras
; Kvaal, Simen; Pedersen, Thomas Bondo;
Laestadius, Andre
(2023).
The S-diagnostic - an a posteriori error assessment for single-reference coupled-cluster methods.
14 p.
Journal of Physical Chemistry A.
Vol. 127.
https://doi.org/10.1021/acs.jpca.3c01575
Faulstich, Fabian M.;
Laestadius, Andre
(2023).
Homotopy continuation methods for coupled-cluster theory in quantum chemistry.
9 p.
Molecular Physics.
https://doi.org/10.1080/00268976.2023.2258599
Penz, Markus;
Tellgren, Erik Ingemar
;
Csirik, Mihaly Andras
; Ruggenthaler, Michael;
Laestadius, Andre
(2023).
The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields.
ACS Physical Chemistry Au.
https://doi.org/10.1021/acsphyschemau.3c00006
Penz, Markus;
Tellgren, Erik Ingemar
;
Csirik, Mihaly Andras
; Ruggenthaler, Michael;
Laestadius, Andre
(2023).
The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory.
ACS Physical Chemistry Au.
Vol. 3.
https://doi.org/10.1021/acsphyschemau.2c00069
