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Software

PyThia UQ Toolbox

The PyThia UQ toolbox uses polynomial chaos surrogates to efficiently generate a surrogate of any (parametric) forward problem. The surrogate is fast to evaluate, allows analytical differentiation and has a built-in global sensitivity analysis via Sobol indices. Assembling the surrogate is done non-intrusive by least-squares regression, hence only training pairs of parameter realizations and evaluations of the forward problem are required to construct the surrogate. No need to compute any nasty interfaces for lagacy code.

Gitgitlab.com/pythia-uq/pythia
Documentationpythia-uq.rtfd.io 
Release

doi.org/10.5281/zenodo.8329010

Publicationjoss.theoj.org/papers/10.21105/joss.05489

OCDB

The ocdb package addresses all scientists and people in general interested in scattering and absorption of photons in the VUV/EUV/X-ray region, in particular (potential) users of the data contained in the Optical Constants Database (OCDB) provided by the German National Metrology Institute (PTB). In contrast to other packages and data sources, the OCDB (and hence the ocdb Python package) provides not only optical constants, but uncertainties for these values as well. As such, it does not compete with other data sources (e.g., the CXRO database) and Python packages (e.g., periodictable), but supplements and extends the data available from there.

Gitgithub.com/PTB-SR/ocdb
Documentationocdb-data.rtfd.io
Releasedoi.org/10.5281/zenodo.10697496
Websitewww.ocdb.ptb.de

Articles

  • Sachse R, Moor M, Kraehnert R, Hodoroaba V-D, Hertwig A. “Ellipsometry-Based Approach for the Characterization of Mesoporous Thin Films for H2 Technologies”, Adv. Engin. Mat. (2022) 24 (6):2101320. https://doi.org/10.1002/adem.202101320
  • Ciesielski R, Saadeh Q, Philipsen V, Opsomer K, Soulié J-P, Wu M, Naujok P, van de Kruijs R W E, Detavernier C, Kolbe M, Scholze F, Soltwisch V. “Determination of optical constants of thin films in the EUV”, Applied Optics (2022) 61(8):2060-2078. https://doi.org/10.1364/AO.447152
  • Ossikovski R and Arteaga O “Optical response of media and structures exhibiting spatial dispersions”, Optics Letters (2022) 47, 5602-5605. https://doi.org/10.1364/OL.475069
  • Ossikovski R, Artega O, Garcia-Caurel E and Hingerl K, "Model for the depolarizing retarder in Mueller matrix polarimetry," J. Opt. Soc. Am. A (2022) 39, 873-882. https://doi.org/10.1364/JOSAA.451106
  • Plock M, Andrle K, Burger S and Schneider P-I, “Bayesian Target-Vector Optimization of Efficient Parameter Reconstruction” Adv. Theory and Simulations (2022) 5 (10) 2200112. https://doi.org/10.1002/adts.202200112
  • Kok G, Wübbeler G and Elster C, "Impact of Imperfect Artefacts and the Modus Operandi on Uncertainty Quantification Using Virtual Instruments" Metrology (2022) 2, 311-319, https://doi.org/10.3390/metrology2020019
  • Skroblin D, Fernández Herrero A, Siefke T, Nikolaev K,  Andrle K, Hönicke P, Kayser Y, Krumrey M, Gollwitzer C and Soltwisch V, "Challenges of grazing emission X-ray fluorescence (GEXRF) for the characterization of advanced nanostructured surfaces", Nanoscale (2022)14, 15475-15483, https://doi.org/10.1039/D2NR03046B
  • Danilenko A, Rastgou M, Manoocheri F, Kinnunen J, Korpelainen V, Lassila A and Ikonen E, "Characterization of PillarHall test chip structures using a reflectometry technique", Meas. Sci. Technol. 34 (2023), 094006, https://doi.org/10.1088/1361-6501/acda54
  • Gertjan K, Dijk M v, Wübbeler G and Elster C, "Virtual experiments for the assessment of data analysis and uncertainty quantification methods in scatterometry", Metrologia (2023) 60, 044001, https://doi.org/10.1088/1681-7575/acd6fd
  • Kolenov D and Pereira S, "Coating layer on samples with roughness: numerical study for coherent Fourier scatterometry", Proceedings Volume 12619, Modeling Aspects in Optical Metrology IX (2023), 126190V, https://doi.org/10.1117/12.2673768
  • Plock M, Hammerschmidt M, Burger S, Schneider P-I and Schütte C, "Impact study of numerical discretization accuracy on parameter reconstructions and model parameter distributions", Metrologia 60 (2023), 054001, http://dx.doi.org/10.1088/1681-7575/ace4cd
  • Hammerschmidt M, Zschiedrich L, Siaudinyté L, Manley P, Schneider P-I and Burger S, "Forward simulation of coherent beams on grating structures for coherent scatterometry", Proceedings Volume PC12619, Modeling Aspects in Optical Metrology IX (2023), PC1261907, https://doi.org/10.1117/12.2673231
  • Gutiérrez Y, Dicorato S, Ovvyan A P, Brückerhoff‐Plückelmann F, Resl J, Giangregorio M M, Hingerl K, Cobet C, Schiek M, Duwe M, Thiesen P H, Pernice W H P and Losurdo  M, "Layered Gallium Monosulfide as Phase-Change Material for Reconfigurable Nanophotonic Components On-Chip", ACS Applied Nano Materials 6 (2023) 21, 20161-20172, https://doi.org/10.1002/adom.202301564
  • Bian S, Ossikovski R, Canillas A, Jellison G and Arteaga O, "Spatial dispersion in silicon", Phys. Rev. B 109 (2023) 3, 035201, https://link.aps.org/doi/10.1103/PhysRevB.109.035201
  • Saadeh,  Q, "Bayesian inferences and time-frequency analysis assisted determination of optical constants in the extreme ultraviolet range", Technische Universität Berlin (2023), https://doi.org/10.14279/depositonce-19574
  • Hegemann N and Heidenreich S, "PyThia: A Python package for Uncertainty Quantification based on non-intrusive polynomial chaos expansions" Journal of Open Source Software (2023) 8(89), 5489, https://doi.org/10.21105/joss.05489