Andre Laestadius
News:
 Jan 2022: Awarded ERC Starting grant for project REGAL
 Nov 2021: Awarded Peder Sather Grant 2021  2023
Contents:
 Current position and academic interests
 Young Research Talent grant: CCerror
 ERC Starting grant: REGAL
 Biography
 Fellowships and awards
 Publications
Current position, 2019  present: Principle Investigator of CCerror, a Research Council of Norway (RCN) funded project through a Young Research Talent (YRT) Grant
Academic interests: coupledcluster theory and densityfunctional theory
CCerror: Funded by the Research Council of Norway, the Young Research Talent project CCerror (full title: Error estimates for coupledcluster methods, ground states and excited states) started in December 2019. The core research team consists of the PI (A. Laestadius) and research fellow Dr. Mihály Andras Csirik. CCerror investigates the mathematical description of coupledcluster theory. The aim is to continue the existent analysis of the theory that is based on strong monotonicity to also be applicable to excited states. Since strong monotonicity seems best suited for the ground state, the identification of novel approaches has been the main task of postdoc Dr. Mihály Csirik so far. Of particular interest has been the study of different homotopies that connect different levels of truncation typically employed in practical coupledcluster calculations.
REGAL: The ERC funded project REGAL (full title: Regularized densityfunctional analysis) is to start during 2022. The aim of this project is to investigate densityfunctional theory in a lossless (MoreauYosida) regularized setting.
Biography:
Academic Background: My background is from mathematics and theoretical chemistry. In my master's thesis, I studied mathematical aspects of quantum chemistry, specifically timedependent currentdensityfunctionaltheory (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 (main supervisor Prof. Michael Benedicks).
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, cosupervisors: A. Szepessy and O. Vahtras)
Research/teaching positions after Ph.D:
 2014  2015: Temporary senior lecturer, Uppsala University, Department of mathematics
 2015  2019: Postdoc research fellow (ERC StG BIVAQUM), University of Oslo, Department of chemistry
 2019  present: Researcher, University of Oslo, Department of chemistry
Fellowships and awards:
 ERC Starting grant, project: REGAL commencing 2022
 Peder Sather Grant, Grant for longerterm stays for Principal Investigators A. Laestadius, M. A. Csirik and L. Lin. for collaboration between UiO and UC Berkeley on coupledcluster theory (2021  2023)
 Young Research Talent (YRT) Grant, funded by the Research Council of Norway (2019  present)
 Kristine Bonnevie fellowship, fellowship for 3 months research visit at MPI Hamburg funded by UiO (2021)
 YoungCAS fellow, awarded funding by Centre for Advanced Study in Oslo to organize a workshop (10 participants) on formal densityfunctional theory (2018)
 Talman Scholar Award, awarded at the 58th Sanibel Symposium for mathematical research in quantum chemistry (2018)
 Young Scientist Mobility Grant, one month research visit at MPI in Hamburg funded by UiO (2018)
 Physics students’ teacher award, awarded best teacher for physics students for my course (lecturer and examiner) on Single Variable Calculus Uppsala University, Sweden (2014)
 Best Graduate Award of Honor, graduated with highest possible grade 5.0/5.0 from KTH  Royal Institute of Technology, Sweden (2009)
 PhD Position of Excellence, first recipient of the School of Biotechnology’s Excellence position for PhD students KTH  Royal Institute of Technology, Sweden (2008)
Publications
Selected publications
Exchange energies with forces in densityfunctional theory
M. Ruggenthaler, N. TancogneDejean, A. Laestadius, M. Penz, M.A. Csirik, and A. Rubio
Manuscript (2022)
CoupledCluster Theory Revisted
M. A. Csirik and A. Laestadius
Manuscript (2021) updated
Manuscript (2021)
Revisiting densityfunctional theory of the total current density
A. Laestadius, M. Penz and E. I. Tellgren
J. Phys.: Condens. Matter 33, 295504 (2021)
Lower Semicontinuity of the Universal Functional in Paramagnetic Current–Density Functional Theory
S. Kvaal, A. Laestadius, E. I. Tellgren and T. Helgaker
J. Phys. Chem. Lett. 12, 1421 (2021)
Onedimensional LiebOxford bounds
A. Laestadius and F. M. Faulstich
J. Chem. Phys. 152, 234112 (2020)
Guaranteed convergence of a regularized KohnSham iteration in finite dimensions
M. Penz, A. Laestadius, E. I. Tellgren and M. Ruggenthaler
Phys. Rev. Lett. 126, 037401 (2019)

Laestadius, Andre; Penz, Markus & Tellgren, Erik Ingemar (2021). Revisiting densityfunctional theory of the total current density. Journal of Physics: Condensed Matter. ISSN 09538984. 33(29). doi: 10.1088/1361648X/abf784. Full text in Research Archive

Kvaal, Simen; Laestadius, Andre; Tellgren, Erik Ingemar & Helgaker, Trygve (2021). Lower Semicontinuity of the Universal Functional in Paramagnetic CurrentDensity Functional Theory. The Journal of Physical Chemistry Letters. ISSN 19487185. 12(5), p. 1421–1425. doi: 10.1021/acs.jpclett.0c03422. Full text in Research Archive

Laestadius, Andre & Faulstich, Fabian Maximilian (2020). Onedimensional Lieb–Oxford bounds. Journal of Chemical Physics. ISSN 00219606. 152(23). doi: 10.1063/5.0009419. Full text in Research Archive

Kvaal, Simen; Laestadius, Andre & Bodenstein, Tilmann (2020). Guaranteed convergence for a class of coupledcluster methods based on Arponen's extended theory. Molecular Physics. ISSN 00268976. 118(1920). doi: 10.1080/00268976.2020.1810349. Full text in Research Archive

Laestadius, Andre; Benedicks, Michael & Penz, Markus (2020). Unique continuation for the magnetic Schrodinger equation. International Journal of Quantum Chemistry. ISSN 00207608. 120(8), p. 1–12. doi: 10.1002/qua.26149. Full text in Research Archive

Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2019). Analysis of the Tailored CoupledCluster Method in Quantum Chemistry . SIAM Journal on Numerical Analysis. ISSN 00361429. 57(6), p. 2579–2607. doi: 10.1137/18M1171436. Full text in Research Archive

Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Show all 11 contributors for this article] (2019). Numerical and Theoretical Aspects of the DMRGTCC Method Exemplified by the Nitrogen Dimer. Journal of Chemical Theory and Computation. ISSN 15499618. 15(4), p. 2206–2220. doi: 10.1021/acs.jctc.8b00960. Show summary

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. ISSN 15499618. 15(7), p. 4003–4020. doi: 10.1021/acs.jctc.9b00141.

Penz, Markus; Laestadius, Andre; Tellgren, Erik & Ruggenthaler, Michael (2019). Guaranteed Convergence of a Regularized KohnSham Iteration in Finite Dimensions. Physical Review Letters. ISSN 00319007. 123(3). doi: 10.1103/PhysRevLett.123.037401. Full text in Research Archive

Laestadius, Andre & Faulstich, Fabian Maximilian (2019). The coupledcluster formalism – a mathematical perspective. Molecular Physics. ISSN 00268976. p. 1–12. doi: 10.1080/00268976.2018.1564848. Full text in Research Archive

Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2018). Generalized KohnSham iteration on Banach spaces. Journal of Chemical Physics. ISSN 00219606. 149(16), p. 1–9. doi: 10.1063/1.5037790. Full text in Research Archive

Laestadius, Andre & Kvaal, Simen (2018). Analysis of the Extended CoupledCluster Method in Quantum Chemistry. SIAM Journal on Numerical Analysis. ISSN 00361429. 56(2), p. 660–683. doi: 10.1137/17M1116611. Full text in Research Archive

Laestadius, Andre & Tellgren, Erik (2018). Densitywavefunction mapping in degenerate currentdensityfunctional theory. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). ISSN 10502947. 97(2). doi: 10.1103/PhysRevA.97.022514. Full text in Research Archive

Tellgren, Erik; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen & Teale, Andrew Michael (2018). Uniform magnetic fields in densityfunctional theory. Journal of Chemical Physics. ISSN 00219606. 148(2), p. 1–19. doi: 10.1063/1.5007300.

Laestadius, Andre (2021). Coupledcluster theory revisited.

Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael & Lammert, Paul (2020). Erratum: Guaranteed Convergence of a Regularized KohnSham Iteration in Finite Dimensions. Physical Review Letters. ISSN 00319007. 125(24). doi: 10.1103/PhysRevLett.125.249902.

Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Show all 11 contributors for this article] (2019). Mathematical and numerical aspects of the coupledcluster method tailored by tensor network states.

Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Show all 11 contributors for this article] (2019). Numerical and theoretical aspects of the DMRGTCC method exemplified by the nitrogen dimer.

Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2019). Guaranteed convergence of a regularized KohnSham iteration in finite dimensions. Show summary

Laestadius, Andre (2019). Monotonicity in CoupledCluster Methods.

Laestadius, Andre (2019). Hohenberg–Kohnlike theorems for current densities.

Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2018). Quadratic error bounds for the coupledcluster method tailored by tensornetwork states.

Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2018). Mathematical analysis of the coupledcluster method tailored by tensornetwork states.

Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs & Schneider, Reinhold (2018). Analysis of The CoupledCluster Method Tailored by TensorNetwork States in Quantum Chemistry.

Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs & Schneider, Reinhold (2018). The Study of CoupledCluster Methods Using Strong Monotonicity.

Laestadius, Andre & Kvaal, Simen (2018). ANALYSIS OF THE EXTENDED COUPLEDCLUSTER METHOD IN QUANTUM CHEMISTRY.

Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2018). Generalized KohnSham iteration on Banach Spaces.

Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2017). Mathematical aspects of the coupledcluster method tailored by tensornetwork states in quantum chemistry.

Laestadius, Andre & Kvaal, Simen (2016). Analysis of the Extended CoupledCluster Method.

Kvaal, Simen & Laestadius, Andre (2016). The extended coupledcluster method and its rigorous analysis.