Prof. Dr. Caroline Lasser
Postal address
Postal:
Boltzmannstr. 3
85748 Garching b. München
- Phone: (work pref) +49 (89) 289 - 17979
- Room: 5606.03.036
- classer(at)tum.de
My research focus is in numerical analysis and scientific computing. I am developing and analyzing mesh-free discretization methods for highly oscillatory evolution equations, in particular for high dimensional quantum systems.
- CNRS 80|Prime project Algorithmes en Dynamique Quantique Moléculaire
- CAS project on Attosecond Quantum Dynamics Beyond the Born-Oppenheimer Approximation
- DFG project on Mathematics of Many-Body Quantum Systems and Their Collective Phenomena
UPCOMING: Workshop on numerics, dynamics and physics, KIT, June 14, 2024
Publications (Caroline Lasser)
Preprints
- with S. Kvaal, T. Pedersen, L. Adamowicz: No need for a grid: Adaptive fully-flexible gaussians for the time-dependent Schrödinger equation, e-print at arXiv:2207.00271
- with C. Fermanian-Kammerer, D. Robert: Asymptotic initial value representation of the solutions of semi-classical systems presenting smooth codimension one crossings, e-print at arXiv:2305.17053
- with M. Feischl, J. Lubich, J. Nick, Regularized dynamical parametric approximation, e-print at arXiv:2403.19234
- with F. Kröninger, J. Vanicek, Sampling strategies for expectation values within the Herman--Kluk approximation, e-print at arXiv:2408.00130
Reviews
- with C. Lubich: Computing quantum dynamics in the semiclassical regime. Acta Numerica, Volume 29, pp. 229-401 (May 2020), DOI 10.1017/S0962492920000033
Books
- with O. Deiser, E. Vogt, D. Werner: 12 x 12 Schlüsselkonzepte zur Mathematik, Springer (2011, 2016)
Contents, ebook at SpringerLink - with O. Deiser: Erste Hilfe in Linearer Algebra (First edition at Springer, 2015)
Peer-reviewed journals in mathematics (since 2020)
- with S. Burkhard, B. Dörich, M. Hochbruck, Variational Gaussian approximation for the magnetic Schrödinger equation, J. Phys. A 57, 295202, 36 pages (2024), DOI 10.1088/1751-8121/ad591e, e-print at arXiv:2310.16734
- with P. Bergold: The Gaussian wave packet transform via quadrature rules, IMA journal of Numerical Analysis 44, pp. 1785-1820 (2024), DOI 10.1093/imanum/drad049, e-print at arXiv:2010.03478
- with R. Carles, C. Fermanian-Kammerer: On the Cauchy problem for the Hartree approximation in quantum dynamics, Nonlinearity 36, pp. 3158-3181 (2023), DOI 10.1088/1361-6544/accf5a, e-print at arXiv:2207.13928
- with P. Bergold: An Error Bound for the Time-Sliced Thawed Gaussian Propagation Method, Num. Math. 152, pp. 511-551 (2022), DOI 10.1007/s00211-022-01319-7 , e-print at arXiv:2108.12182
- with C. Su, Various variational approximations of quantum dynamics, J. Math. Phys. 63, 072107, 22 pages (2022), DOI 10.1063/5.0088265 , e-print at arXiv:2103.11783
- with I. Burghardt, R. Carles, C. Fermanian Kammerer, B. Lasorne: Dynamical approximations for composite quantum systems: Assessment of error estimates for a separable ansatz, J. Phys. A: Math Theor. 55, 224010, 19 pages (2022), DOI 10.1088/1751-8121/ac6841 , e-print at arXiv:2112.06915
- with I. Burghardt, R. Carles, C. Fermanian Kammerer, B. Lasorne: Dynamical approximations for composite quantum systems, J. Phys. A: Math. Theor. 54, 414002 (2021), DOI 10.1088/1751-8121/ac219d , e-print at arXiv:2012.08373
- with C. Fermanian Kammerer, D. Robert: Propagation of wave packets for systems presenting codimension one crossings, Comm. Math. Phys. 385(3), pp. 1695-1739 (2021), DOI 10.1007/s00220-021-04147-2 , e-print at arXiv:2001.07484
- with C. Fermanian Kammerer, D. Robert: Adiabatic and non-adiabatic evolution of wave packets and applications to initial value representations, to appear in Partial Differential Equations, Spectral Theory, and Mathematical Physics. The Ari Laptev Anniversary Volume (EMS), pp. 89-113 (2021), e-print at arXiv:2011.01618
- with P. Bergold: Fourier series windowed by a bump function, J. Fourier An. Appl. 26, article number 65 (2020), DOI 10.1007/s00041-020-09773-3 , e-print at arXiv:1901.04365
Peer-reviewed journals in chemistry/physics
- with L. Araujo, B. Schmidt, FSSH-2: Fewest Switches Surface Hopping with robust switching
probability, J. Chem. Theory Comput 20, 3413, 7 pages (2024), e-print at arXiv:2401.10140 DOI 10.1021/acs.jctc.4c00089 - with F. Kröninger, J. Vanicek: Sampling strategies for the Herman-Kluk propagator of the wavefunction, Front. Phys. 11, 12 pages (2023), e-print at arXiv:2211.13666 DOI 10.3389/fphy.2023.1106324
- with L. Adamowicz, S. Kvaal, T. Pedersen: Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation, J. Chem. Phys. 157, 144302, 8 pages (2022), e-print at arXiv:2205.15229 DOI 10.1063/5.0101352
- with A. Belyaev, W. Domcke, G. Trigila: Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations, J. Chem. Phys. 142, 104307, 10 pages (2015), e-print at arXiv:1412.3047 DOI 10.1063/1.4913962
- with J. Keller: Quasi-classical description of molecular dynamics based on Egorov's theorem
J. Chem. Phys. 141, 054104, 11 pages, (2014), e-print at arXiv:1405.7355 DOI 10.1063/1.4891517 - with A. Belyaev, G. Trigila: Landau-Zener type surface hopping algorithms
J. Chem. Phys. 140, 224108, 11 pages (2014), e-print at arXiv:1403.4859 , DOI 10.1063/1.4882073 - with C. Fermanian Kammerer: Single switch surface hopping for molecular quantum dynamics
J. Math. Chem. 50(3), pp. 620-635 (2012), DOI 10.1007/s10910-011-9816-5 - with A. Kenfack, F. Marquardt, G. Paramonov, I. Barth, B. Paulus: Initial state dependence of coupled electronic and nuclear fluxes in molecules
Phys. Rev. A 81, 052502, 7 pages (2010), DOI 10.1103/PhysRevA.81.052502 - with I. Barth: Trigonometric pulse envelopes for laser induced quantum dynamics
J. Phys. B: At. Mol. Opt. Phys. 42, 235101, 8 pages (2009), DOI 10.1088/0953-4075/42/23/235101 - with T. Swart: Single switch surface hopping for a model of pyrazine
J. Chem. Phys. 129, pp. 034302, 8 pages (2008), DOI 10.1063/1.2954019 - with C. Fermanian Kammerer: Single switch surface hopping for molecular dynamics with transitions
J. Chem. Phys. 128, pp. 144102, 9 pages (2008), DOI 10.1063/1.2888549
Peer-reviewed journals in mathematics (before 2020)
- with K. Kormann, Y. Yurova: Stable interpolation with isotropic and anisotropic Gaussians using Hermite generating function, SIAM J. Sci. Comput. 41(6), pp. 3839-3859 (2019), DOI 10.1137/19M1262449 , e-print at arXiv:1905.09542
- with R. Schubert, S. Troppmann: Non-Hermitian propagation of Hagedorn wavepackets, J. Math. Phys. 59, pp. 082102, 35 pages (2018), DOI 10.1063/1.5026043 , e-print at arXiv:1507.02858
- with G. Hagedorn: Symmetric Kronecker products and semiclassical wave packets
SIAM J. Matr. An. 38(4), pp. 1560-1579 (2018), DOI 10.1137/16M106577X , e-print at arXiv:1603.04284 - with D. Sattlegger: Discretising the Herman-Kluk propagator
Num. Math., 137(1), pp. 119-157 (2017), DOI 10.1007/s00211-017-0871-0 , e-print at arXiv:1605.00588 - with C. Fermanian Kammerer: An Egorov Theorem for avoided crossings of eigenvalue surfaces
Comm. Math. Phys. 353(3), pp. 1011-1057 (2017), DOI 10.1007/s00220-017-2890-1 , e-print at arXiv:1605.03520 - with J. Keller, T. Ohsawa: A new phase space density for quantum expectations
SIAM J. Math. An. 48(1), pp. 513–537 (2016), DOI 10.1137/15M1028388 , e-print at arXiv:1506.08880 - with W. Gaim: Corrections to Wigner type phase space methods
Nonlinearity 27, pp. 2951-2974 (2014), DOI 10.1088/0951-7715/27/12/2951 , e-print at arXiv:1403.2839 - with S. Troppmann: Hagedorn wavepackets in time-frequency and phase space
J. Fourier An. Appl. 20, pp. 679-714 (2014), DOI 10.1007/s00041-014-9330-9 , e-print at arXiv:1303.5192 - with J. Keller: Propagation of Quantum Expectations with Husimi Functions
SIAM J. Appl. Math. 73, pp. 1557-1581 (2013), DOI 10.1137/120889186 , e-print at arXiv:1207.7211v2 - with C. Fermanian Kammerer, P. Gerard: Wigner Measure Propagation and Conical Singularity for General Initial Data
Arch. Rat. Mech. An. 209, pp. 209-236 (2013), DOI 10.1007/s00205-013-0622-z , e-print at arXiv:1203.5047 - with S. Röblitz: Computing expectation values for molecular quantum dynamics
SIAM J. Sci. Comput. 32, pp. 1465-1483 (2010), DOI 10.1137/090770461 - with S. Fujiie, L. Nedelec: Semiclassical resonances for a two-level Schrödinger operator with a conical intersection
Asympt. Anal. 65, pp. 17-58 (2009), DOI 10.3233/ASY-2009-0946 - with S. Kube, M. Weber: Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
J. Comput. Phys. 228, pp. 1947-1962 (2009), DOI 10.1016/j.jcp.2008.11.016 - with C. Fermanian Kammerer: Propagation through generic level crossings: a surface hopping semigroup
SIAM J. Math. An. 40(1), pp. 103-133 (2008), DOI 10.1137/070686810 - with T. Swart, S. Teufel: Construction and validation of a rigorous surface hopping algorithm for conical crossings
Comm. Math. Sci. 5(4), pp. 789-814 (2007), journal - with S. Teufel: Propagation through conical crossings: an asymptotic semigroup
Comm. Pure Appl. Math. 58(9), pp. 1188-1230 (2005), DOI 10.1002/cpa.20087 - with C. Fermanian Kammerer: Wigner measures and codimension two crossings
J. Math. Phys. 44(2), pp. 507-527 (2003) DOI 10.1063/1.1527221 - with A. Toselli: An overlapping domain decomposition preconditioner for a class of discontinuous Galerkin approximations of advection-diffusion problems
Math. Comp. 72, pp. 1215-1238 (2003), DOI 10.1090/S0025-5718-03-01484-4
Miscellaneous
- with G. Hagedorn: Molecular Quantum Dynamics, Snapshot of Modern Mathematics from Oberwolfach (2017)