Publications

Preprints

• with O. Deiser: On the higher derivates of arctan, e-print at arXiv:1705.09459 
• with J. Keller, T. Ohsawa: Quantum expectations via spectrograms, e-print at arXiv:1603.01478 
• with R. Schubert, S. Troppmann: Non-Hermitian propagation of Hagedorn wavepackets, e-print at arXiv:1507.02858 

Books

• with O. Deiser, E. Vogt, D. Werner: 12 x 12 Schlüsselkonzepte zur Mathematik, Springer Spektrum (2011, 2016)
  Contents, ebook at SpringerLink 
• with O. Deiser: Erste Hilfe in Linearer Algebra  _(Die erste Auflage dieses Buches ist 2015 bei Springer erschienen.)_

Introductory text

• with G. Hagedorn: Molecular Quantum Dynamics, Snapshot  of Modern Mathematics from Oberwolfach (2017)

Peer-reviewed journals in mathematics

• 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), 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  

Peer-reviewed journals in chemistry/physics

• 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  

Proceedings

• 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