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Academic interests: mathematical quantum chemistry
Academic Background: My background is from mathematics and theoretical chemistry. In my master's thesis, I studied mathematical aspects of quantum chemistry, specifically time-dependent current-density-functional-theory (under supervision of Prof. Olav Vahtras). After that, I completed a PhD in applied mathematics with the thesis Foundations of Density Functionals in the Presence of Magnetic Field.
Current research: I am PI of two projects, CCerror (RCN funded) and REGAL (ERC funded).
The ERC funded project REGAL (full title: Regularized density-functional analysis) started Sept. 2022. The aim of this project is to investigate density-functional theory in a lossless (Moreau-Yosida) regularized setting.
Academic Degrees: I hold the following 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)
Fagområder
Vitenskapsdisipliner
Emner
Forskningsgrupper
Publikasjoner og forskningsresultater
Vitenskapelige publikasjoner
Teale, Andrew Michael; Helgaker, Trygve; Savin, Andreas; Adamo, Carlo; Aradi, Balint; Arbuznikov, Alexei V.; Ayers, Paul W.; Baerends, Evert Jan; Barone, Vincenzo; Calaminici, Patrizia; Cances, Eric; Carter, Emily A.; Chattaraj, Pratim Kumar; Chermette, Henry; Ciofini, Ilaria; Crawford, T. Daniel; de Proft, Frank; Dobson, John F.; Draxl, Claudia; Frauenheim, Thomas; Fromager, Emmanuel; Fuentealba, Patricio; Gagliardi, Laura; Galli, Giulia; Gao, Jaili; Geerlings, Paul; Gidopoulos, Nikitas I.; Gill, Peter M. W.; Gori-Giorgi, Paola; Görling, Andreas; Gould, Tim; Grimme, Stefan; Gritsenko, Oleg; Jensen, Hans Jørgen Aagaard; Johnson, Erin R.; Jones, Robert O.; Kaupp, Martin; Köster, Andreas M.; Kronik, Leeor; Krylov, Anna I.; Kvaal, Simen; Laestadius, Andre; Levy, Mel; Lewin, Mathieu; Liu, Shubin; Loos, Pierre-Francois; Maitra, Neepa T.; Neese, Frank; Perdew, John P.; Pernal, Katarzyna; Pernot, Pascal; Piecuch, Piotr; Rebolini, Elisa; Reining, Lucia; Romaniello, Pina; Ruzsinszky, Adrienn; Salahub, Dennis R.; Scheffler, Matthias; Schwerdtfeger, Peter; Staroverov, Viktor N.; Sun, Jianwei; Tellgren, Erik Ingemar; Tozer, David J.; Trickey, Samuel B.; Ullrich, Carsten A.; Vela, Alberto; Vignale, Giovanni; Wesolowski, Tomasz A.; Xu, Xin; Yang, Weitao
(2022).
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Physical Chemistry, Chemical Physics - PCCP
.
http://hdl.handle.net/10852/101103
Laestadius, Andre; Penz, Markus; Tellgren, Erik Ingemar
(2021).
Revisiting density-functional theory of the total current density.
Journal of Physics: Condensed Matter
.
Vol. 33.
http://hdl.handle.net/10852/92744
Kvaal, Simen; Laestadius, Andre; Tellgren, Erik Ingemar; Helgaker, Trygve
(2021).
Lower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory.
The Journal of Physical Chemistry Letters
.
Vol. 12.
http://hdl.handle.net/10852/92666
Laestadius, Andre; Faulstich, Fabian Maximilian
(2020).
One-dimensional Lieb–Oxford bounds.
Journal of Chemical Physics
.
Vol. 152.
http://hdl.handle.net/10852/84100
Kvaal, Simen; Laestadius, Andre; Bodenstein, Tilmann
(2020).
Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory.
12 s.
Molecular Physics
.
Vol. 118.
http://hdl.handle.net/10852/85350
Laestadius, Andre; Benedicks, Michael; Penz, Markus
(2020).
Unique continuation for the magnetic Schrodinger equation.
International Journal of Quantum Chemistry
.
Vol. 120.
http://hdl.handle.net/10852/83882
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen
(2019).
Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry.
SIAM Journal on Numerical Analysis
.
Vol. 57.
http://hdl.handle.net/10852/72496
Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor; Antalik, Andrej; Brabec, Jiří; Schneider, Reinhold; Pittner, Jiří; Kvaal, Simen; Legeza, Örs (2019). Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer. Journal of Chemical Theory and Computation . Vol. 15.
Laestadius, Andre; Tellgren, Erik; Penz, Markus; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve (2019). Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability. Journal of Chemical Theory and Computation . Vol. 15.
Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael
(2019).
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions.
Physical Review Letters
.
Vol. 123.
http://hdl.handle.net/10852/72498
