Andre Laestadius

Forsker - Hylleraas-senteret
Bilde av Andre Laestadius
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Rom V 224B
Brukernavn
Besøksadresse Sem Sælands vei 26 0371 Oslo
Postadresse Postboks 1033 0315 Oslo

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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: coupled-cluster theory and density-functional theory


CCerror: Funded by the Research Council of Norway, the Young Research Talent project CCerror (full title: Error estimates for coupled-cluster 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 coupled-cluster 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 coupled-cluster calculations.


REGAL: The ERC funded project REGAL (full title: Regularized density-functional analysis) is to start during 2022. The aim of this project is to investigate density-functional theory in a lossless (Moreau-Yosida) 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 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 (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, co-supervisors: 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 longer-term stays for Principal Investigators A. Laestadius, M. A. Csirik and L. Lin. for collaboration between UiO and UC Berkeley on coupled-cluster 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 density-functional 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)

Publikasjoner

Selected publications


Exchange energies with forces in density-functional theory
M. Ruggenthaler, N. Tancogne-Dejean, A. Laestadius, M. Penz, M.A. Csirik, and A. Rubio
Manuscript (2022)

Coupled-Cluster Theory Revisted
M. A. Csirik and A. Laestadius
Manuscript (2021)

Revisiting density-functional theory of the total current density
A. Laestadius, M. Penz and E. I. Tellgren
To appear J. Phys.: Condens. Matter (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)

One-dimensional Lieb-Oxford bounds
A. Laestadius and F. M. Faulstich
J. Chem. Phys. 152, 234112 (2020)

Guaranteed convergence of a regularized Kohn-Sham 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 density-functional theory of the total current density. Journal of Physics: Condensed Matter. ISSN 0953-8984. 33(29). doi: 10.1088/1361-648X/abf784. Fulltekst i vitenarkiv
  • 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. ISSN 1948-7185. 12(5), s. 1421–1425. doi: 10.1021/acs.jpclett.0c03422. Fulltekst i vitenarkiv
  • Laestadius, Andre & Faulstich, Fabian Maximilian (2020). One-dimensional Lieb–Oxford bounds. Journal of Chemical Physics. ISSN 0021-9606. 152(23). doi: 10.1063/5.0009419. Fulltekst i vitenarkiv
  • Kvaal, Simen; Laestadius, Andre & Bodenstein, Tilmann (2020). Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory. Molecular Physics. ISSN 0026-8976. 118(19-20). doi: 10.1080/00268976.2020.1810349. Fulltekst i vitenarkiv
  • Laestadius, Andre; Benedicks, Michael & Penz, Markus (2020). Unique continuation for the magnetic Schrodinger equation. International Journal of Quantum Chemistry. ISSN 0020-7608. 120(8), s. 1–12. doi: 10.1002/qua.26149. Fulltekst i vitenarkiv
  • 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. ISSN 0036-1429. 57(6), s. 2579–2607. doi: 10.1137/18M1171436. Fulltekst i vitenarkiv
  • Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Vis alle 11 forfattere av denne artikkelen] (2019). Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer. Journal of Chemical Theory and Computation. ISSN 1549-9618. 15(4), s. 2206–2220. doi: 10.1021/acs.jctc.8b00960.
  • 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 1549-9618. 15(7), s. 4003–4020. doi: 10.1021/acs.jctc.9b00141.
  • Penz, Markus; Laestadius, Andre; Tellgren, Erik & Ruggenthaler, Michael (2019). Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters. ISSN 0031-9007. 123(3). doi: 10.1103/PhysRevLett.123.037401. Fulltekst i vitenarkiv
  • Laestadius, Andre & Faulstich, Fabian Maximilian (2019). The coupled-cluster formalism – a mathematical perspective. Molecular Physics. ISSN 0026-8976. s. 1–12. doi: 10.1080/00268976.2018.1564848. Fulltekst i vitenarkiv
  • Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2018). Generalized Kohn-Sham iteration on Banach spaces. Journal of Chemical Physics. ISSN 0021-9606. 149(16), s. 1–9. doi: 10.1063/1.5037790. Fulltekst i vitenarkiv
  • Laestadius, Andre & Kvaal, Simen (2018). Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry. SIAM Journal on Numerical Analysis. ISSN 0036-1429. 56(2), s. 660–683. doi: 10.1137/17M1116611. Fulltekst i vitenarkiv
  • Laestadius, Andre & Tellgren, Erik (2018). Density-wave-function mapping in degenerate current-density-functional theory. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). ISSN 1050-2947. 97(2). doi: 10.1103/PhysRevA.97.022514. Fulltekst i vitenarkiv
  • Tellgren, Erik; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen & Teale, Andrew Michael (2018). Uniform magnetic fields in density-functional theory. Journal of Chemical Physics. ISSN 0021-9606. 148(2), s. 1–19. doi: 10.1063/1.5007300.

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  • Laestadius, Andre (2021). Coupled-cluster theory revisited.
  • Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael & Lammert, Paul (2020). Erratum: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters. ISSN 0031-9007. 125(24). doi: 10.1103/PhysRevLett.125.249902.
  • Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Vis alle 11 forfattere av denne artikkelen] (2019). Mathematical and numerical aspects of the coupled-cluster method tailored by tensor network states.
  • Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor & Antalik, Andrej [Vis alle 11 forfattere av denne artikkelen] (2019). Numerical and theoretical aspects of the DMRG-TCC method exemplified by the nitrogen dimer.
  • Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2019). Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions.
  • Laestadius, Andre (2019). Monotonicity in Coupled-Cluster Methods.
  • Laestadius, Andre (2019). Hohenberg–Kohn-like theorems for current densities.
  • Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2018). Quadratic error bounds for the coupled-cluster method tailored by tensor-network states.
  • Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2018). Mathematical analysis of the coupled-cluster method tailored by tensor-network states.
  • Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs & Schneider, Reinhold (2018). Analysis of The Coupled-Cluster Method Tailored by Tensor-Network States in Quantum Chemistry.
  • Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs & Schneider, Reinhold (2018). The Study of Coupled-Cluster Methods Using Strong Monotonicity.
  • Laestadius, Andre & Kvaal, Simen (2018). ANALYSIS OF THE EXTENDED COUPLED-CLUSTER METHOD IN QUANTUM CHEMISTRY.
  • Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen & Helgaker, Trygve (2018). Generalized Kohn-Sham iteration on Banach Spaces.
  • Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold & Kvaal, Simen (2017). Mathematical aspects of the coupled-cluster method tailored by tensor-network states in quantum chemistry.
  • Laestadius, Andre & Kvaal, Simen (2016). Analysis of the Extended Coupled-Cluster Method.
  • Kvaal, Simen & Laestadius, Andre (2016). The extended coupled-cluster method and its rigorous analysis.

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Publisert 7. okt. 2015 09:18 - Sist endret 4. apr. 2022 20:05