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Kieri, Emil

Open this publication in new window or tab >>Implementation of a semiclassical light-matter interaction using the Gauss–Hermite quadrature: A simple alternative to the multipole expansion### Sørensen, Lasse Kragh

### Kieri, Emil

### Srivastav, Shruti

### Lundberg, Marcus

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_0_j_idt188_some",{id:"formSmash:j_idt184:0:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_0_j_idt188_some",multiple:true}); ### Lindh, Roland

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_0_j_idt188_otherAuthors",{id:"formSmash:j_idt184:0:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_0_j_idt188_otherAuthors",multiple:true}); Show others...PrimeFaces.cw("SelectBooleanButton","widget_formSmash_j_idt184_0_j_idt188_j_idt202",{id:"formSmash:j_idt184:0:j_idt188:j_idt202",widgetVar:"widget_formSmash_j_idt184_0_j_idt188_j_idt202",onLabel:"Hide others...",offLabel:"Show others..."}); 2019 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 99, no 1, article id 013419Article in journal (Refereed) Published
##### National Category

Theoretical Chemistry
##### Identifiers

urn:nbn:se:uu:diva-375867 (URN)10.1103/PhysRevA.99.013419 (DOI)000455815000010 ()
#####

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Available from: 2019-01-16 Created: 2019-02-04 Last updated: 2019-02-14Bibliographically approved

Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry.

Institut für Numerische Simulation, Wegelerstrasse 6, Bonn, Germany.

Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.

Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry.

Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry.

Open this publication in new window or tab >>A matrix-free Legendre spectral method for initial–boundary value problems### Brumm, Bernd

### Kieri, Emil

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_1_j_idt188_some",{id:"formSmash:j_idt184:1:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_1_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_1_j_idt188_otherAuthors",{id:"formSmash:j_idt184:1:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_1_j_idt188_otherAuthors",multiple:true}); 2016 (English)In: Electronic Transactions on Numerical Analysis, ISSN 1068-9613, E-ISSN 1068-9613, Vol. 45, p. 283-304Article in journal (Refereed) Published
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-267728 (URN)000393415700015 ()
#####

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##### Projects

eSSENCE
Available from: 2016-07-29 Created: 2015-11-25 Last updated: 2017-12-01Bibliographically approved

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.

Open this publication in new window or tab >>Discretized dynamical low-rank approximation in the presence of small singular values### Kieri, Emil

### Lubich, Christian

### Walach, Hanna

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_2_j_idt188_some",{id:"formSmash:j_idt184:2:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_2_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_2_j_idt188_otherAuthors",{id:"formSmash:j_idt184:2:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_2_j_idt188_otherAuthors",multiple:true}); 2016 (English)In: SIAM Journal on Numerical Analysis, ISSN 0036-1429, E-ISSN 1095-7170, Vol. 54, p. 1020-1038Article in journal (Refereed) Published
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-267729 (URN)10.1137/15M1026791 (DOI)000375488100021 ()
#####

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##### Projects

eSSENCE
Available from: 2016-04-05 Created: 2015-11-25 Last updated: 2017-12-01Bibliographically approved

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.

Open this publication in new window or tab >>Numerical Methods for Wave Propagation: Analysis and Applications in Quantum Dynamics### Kieri, Emil

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##### Abstract [en]

##### Place, publisher, year, edition, pages

Uppsala: Acta Universitatis Upsaliensis, 2016. p. 33
##### Series

Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1330
##### Keywords

computational wave propagation, quantum dynamics, time-dependent Schrödinger equation, spectral methods, Gaussian beams, splitting methods, low-rank approximation
##### National Category

Computational Mathematics
##### Research subject

Scientific Computing
##### Identifiers

urn:nbn:se:uu:diva-268625 (URN)978-91-554-9437-7 (ISBN)
##### Public defence

2016-02-12, ITC 2446, Lägerhyddsvägen 2, Uppsala, 10:15 (English)
##### Opponent

### Jahnke, Tobias

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##### Supervisors

### Holmgren, Sverker

### Gradinaru, Vasile

### Karlsson, Hans O.

Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theoretical Chemistry.PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_3_j_idt188_j_idt365",{id:"formSmash:j_idt184:3:j_idt188:j_idt365",widgetVar:"widget_formSmash_j_idt184_3_j_idt188_j_idt365",multiple:true});
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##### Projects

eSSENCE
Available from: 2016-01-19 Created: 2015-12-08 Last updated: 2016-02-12

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.

We study numerical methods for time-dependent partial differential equations describing wave propagation, primarily applied to problems in quantum dynamics governed by the time-dependent Schrödinger equation (TDSE). We consider both methods for spatial approximation and for time stepping. In most settings, numerical solution of the TDSE is more challenging than solving a hyperbolic wave equation. This is mainly because the dispersion relation of the TDSE makes it very sensitive to dispersion error, and infers a stringent time step restriction for standard explicit time stepping schemes. The TDSE is also often posed in high dimensions, where standard methods are intractable.

The sensitivity to dispersion error makes spectral methods advantageous for the TDSE. We use spectral or pseudospectral methods in all except one of the included papers. In Paper III we improve and analyse the accuracy of the Fourier pseudospectral method applied to a problem with limited regularity, and in Paper V we construct a matrix-free spectral method for problems with non-trivial boundary conditions. Due to its stiffness, the TDSE is most often solved using exponential time integration. In this thesis we use exponential operator splitting and Krylov subspace methods. We rigorously prove convergence for force-gradient operator splitting methods in Paper IV. One way of making high-dimensional problems computationally tractable is low-rank approximation. In Paper VI we prove that a splitting method for dynamical low-rank approximation is robust to singular values in the approximation approaching zero, a situation which is difficult to handle since it implies strong curvature of the approximation space.

Karlsruher Institut für Technologie, Fakultät für Mathematik.

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing.

ETH Zürich, Seminar für angewandte Mathematik.

Open this publication in new window or tab >>Coupling of Gaussian beam and finite difference solvers for semiclassical Schrödinger equations### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.### Kreiss, Gunilla

### Runborg, Olof

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_4_j_idt188_some",{id:"formSmash:j_idt184:4:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_4_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_4_j_idt188_otherAuthors",{id:"formSmash:j_idt184:4:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_4_j_idt188_otherAuthors",multiple:true}); 2015 (English)In: Advances in Applied Mathematics and Mechanics, ISSN 2070-0733, E-ISSN 2075-1354, Vol. 7, p. 687-714Article in journal (Refereed) Published
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-262240 (URN)10.4208/aamm.2013.m411 (DOI)000361055400001 ()
#####

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eSSENCE
Available from: 2015-09-09 Created: 2015-09-10 Last updated: 2017-12-04Bibliographically approved

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Numerical Analysis.

Open this publication in new window or tab >>Discretised dynamical low-rank approximation in the presence of small singular values### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.### Lubich, Christian

### Walach, Hanna

PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_5_j_idt188_some",{id:"formSmash:j_idt184:5:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_5_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_5_j_idt188_otherAuthors",{id:"formSmash:j_idt184:5:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_5_j_idt188_otherAuthors",multiple:true}); 2015 (English)In: Mathematical Methods in Quantum Molecular Dynamics, Zürich, Switzerland: EMS Publishing House , 2015, p. 1516-1517Conference paper, Published paper (Other academic)
##### Place, publisher, year, edition, pages

Zürich, Switzerland: EMS Publishing House, 2015
##### Series

Oberwolfach Reports ; 12
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-266311 (URN)10.4171/OWR/2015/27 (DOI)
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##### Projects

eSSENCE
Available from: 2015-11-06 Created: 2015-11-06 Last updated: 2016-02-16Bibliographically approved

Open this publication in new window or tab >>Stiff convergence of force-gradient operator splitting methods### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_6_j_idt188_some",{id:"formSmash:j_idt184:6:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_6_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_6_j_idt188_otherAuthors",{id:"formSmash:j_idt184:6:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_6_j_idt188_otherAuthors",multiple:true}); 2015 (English)In: Applied Numerical Mathematics, ISSN 0168-9274, E-ISSN 1873-5460, Vol. 94, p. 33-45Article in journal (Refereed) Published
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-248024 (URN)10.1016/j.apnum.2015.03.005 (DOI)000355498600003 ()
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##### Projects

eSSENCE
Available from: 2015-03-18 Created: 2015-03-26 Last updated: 2017-12-04Bibliographically approved

Open this publication in new window or tab >>Accelerated convergence for Schrödinger equations with non-smooth potentials### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_7_j_idt188_some",{id:"formSmash:j_idt184:7:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_7_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_7_j_idt188_otherAuthors",{id:"formSmash:j_idt184:7:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_7_j_idt188_otherAuthors",multiple:true}); 2014 (English)In: BIT Numerical Mathematics, ISSN 0006-3835, E-ISSN 1572-9125, Vol. 54, p. 729-748Article in journal (Refereed) Published
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-214685 (URN)10.1007/s10543-013-0465-x (DOI)000342210300009 ()
#####

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##### Projects

eSSENCE
Available from: 2014-01-01 Created: 2014-01-09 Last updated: 2017-12-06Bibliographically approved

Open this publication in new window or tab >>Stiff convergence of force-gradient operator splitting methods### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_8_j_idt188_some",{id:"formSmash:j_idt184:8:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_8_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_8_j_idt188_otherAuthors",{id:"formSmash:j_idt184:8:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_8_j_idt188_otherAuthors",multiple:true}); 2014 (English)Report (Other academic)
##### Series

Technical report / Department of Information Technology, Uppsala University, ISSN 1404-3203 ; 2014-004
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-220197 (URN)
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##### Projects

eSSENCE
Available from: 2014-02-28 Created: 2014-03-12 Last updated: 2014-03-17Bibliographically approved

Open this publication in new window or tab >>Accelerated convergence for Schrödinger equations with non-smooth potentials### Kieri, Emil

Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science.PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_9_j_idt188_some",{id:"formSmash:j_idt184:9:j_idt188:some",widgetVar:"widget_formSmash_j_idt184_9_j_idt188_some",multiple:true}); PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_9_j_idt188_otherAuthors",{id:"formSmash:j_idt184:9:j_idt188:otherAuthors",widgetVar:"widget_formSmash_j_idt184_9_j_idt188_otherAuthors",multiple:true}); 2013 (English)Report (Other academic)
##### Series

Technical report / Department of Information Technology, Uppsala University, ISSN 1404-3203 ; 2013-007
##### National Category

Computational Mathematics
##### Identifiers

urn:nbn:se:uu:diva-198253 (URN)
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PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_9_j_idt188_j_idt365",{id:"formSmash:j_idt184:9:j_idt188:j_idt365",widgetVar:"widget_formSmash_j_idt184_9_j_idt188_j_idt365",multiple:true});
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PrimeFaces.cw("AccordionPanel","widget_formSmash_j_idt184_9_j_idt188_j_idt371",{id:"formSmash:j_idt184:9:j_idt188:j_idt371",widgetVar:"widget_formSmash_j_idt184_9_j_idt188_j_idt371",multiple:true});
#####

##### Projects

eSSENCE
Available from: 2013-04-10 Created: 2013-04-10 Last updated: 2013-10-08Bibliographically approved