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Peer-reviewedCC BY 4.0Computer Physics Communications

Modular multiscale approach to modelling high-harmonic generation in gases

Abstract

We present a modular user-oriented simulation toolbox for studying highharmonic generation in gases [1]. The first release consists of the computational pipeline to 1) compute the unidirectional IR-pulse propagation in cylindrical symmetry, 2) solve the microscopic responses in the whole macroscopic volume using a 1D-TDSE solver, 3) obtain the far-field harmonic field using a diffraction-integral approach. The code comes with interfaces and tutorials, based on practical laboratory conditions, to facilitate the usage and deployment of the code both locally and in HPC-clusters. Additionally, the modules are designed to work as stand-alone applications as well, e.g., 1D-TDSE is available through Pythonic interface.

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BibTeX
@article{vabek2026modular,
  title = {{Modular multiscale approach to modelling high-harmonic generation in gases}},
  author = {Jan Vábek and Tadeáš Němec and Stefan Skupin and Fabrice Catoire},
  journal = {Computer Physics Communications},
  year = {2026},
  month = sep,
  doi = {10.1016/j.cpc.2026.110417},
  eprint = {2507.04115},
  archivePrefix = {arXiv},
  url = {https://cnrs.hal.science/hal-05247834v2},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Modular multiscale approach to modelling high-harmonic generation in gases
AU  - Jan Vábek
AU  - Tadeáš Němec
AU  - Stefan Skupin
AU  - Fabrice Catoire
PY  - 2026
DA  - 2026/09/25
JO  - Computer Physics Communications
DO  - 10.1016/j.cpc.2026.110417
UR  - https://cnrs.hal.science/hal-05247834v2
AB  - We present a modular user-oriented simulation toolbox for studying highharmonic generation in gases [1]. The first release consists of the computational pipeline to 1) compute the unidirectional IR-pulse propagation in cylindrical symmetry, 2) solve the microscopic responses in the whole macroscopic volume using a 1D-TDSE solver, 3) obtain the far-field harmonic field using a diffraction-integral approach. The code comes with interfaces and tutorials, based on practical laboratory conditions, to facilitate the usage and deployment of the code both locally and in HPC-clusters. Additionally, the modules are designed to work as stand-alone applications as well, e.g., 1D-TDSE is available through Pythonic interface.
SN  - 0010-4655
SN  - 1879-2944
ER  -