with P. Bergold: The Gaussian wave packet transform via quadrature rules, e-print at
arXiv:2010.03478
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 R. Carles, C. Fermanian-Kammerer: On the Cauchy problem for the Hartree approximation in quantum dynamics, e-print at arXiv:2207.13928
with F. Kröninger, J. Vanicek: Sampling strategies for the Herman-Kluk propagator of the wavefunction, e-print at arXiv:2211.13666
with C. Su, Various variational approximations of quantum dynamics, J. Math. Phys. 63, 072107 (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 (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, June 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. Adamowicz, S. Kvaal, T. Pedersen: Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation, J. Chem. Phys. 157, 144302 (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),
preprint, 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),
preprint,
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),
preprint,
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),
preprint,
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),
preprint,
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 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 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),
preprint,
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),
preprint,
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),
preprint,
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),
preprint,
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),
preprint,
journal
with S. Teufel:
Propagation through conical crossings: an asymptotic semigroup
Comm. Pure Appl. Math. 58(9), pp. 1188-1230 (2005),
preprint,
DOI 10.1002/cpa.20087
with C. Fermanian Kammerer:
Wigner measures and codimension two crossings
J. Math. Phys. 44(2), pp. 507-527 (2003),
preprint,
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),
preprint,
DOI 10.1090/S0025-5718-03-01484-4
Miscellaneous
with G. Hagedorn: Molecular Quantum Dynamics, Snapshot of Modern Mathematics from Oberwolfach (2017)
with F. Bornemann, T. Swart:
Energy level crossings in molecular dynamics
Analysis, Modeling, and Simulation of Multiscale Problems, A. Mielke (Ed.), pp. 577-594 (2006),
preprint
with I. Barth, L. Gonzalez, J. Manz, T. Rozgonyi:
Laser control of nuclear and electron dynamics: bond selective photodissociation and
electron circulation
Coherent Control of Molecules CCP6, B. Lasorne and G. Worth (Eds.), pp. 18-27 (2006),
preprint
with A. Toselli:
Convergence of Some Two-Level Overlapping Domain Decomposition Preconditioners with
Smoothed Aggregation Coarse Spaces
Recent Developments in Domain Decomposition Methods, L. Pavarino and A. Toselli (Eds.),
Lecture Notes in Computational Science and Engineering 23, pp. 95-117 (2002),
preprint
with A. Toselli:
Overlapping preconditioners for discontinuous Galerkin approximations of second order problems
Proceedings of the 13th International Conference of Domain Decomposition (2001),
preprint