bertha: Project skeleton for scientific software

Riesch, Michael; Nguyen, Thi Thanh Ngan; Jirauschek, Christian

doi:10.1371/journal.pone.0230557

Cited by 11 publications

(5 citation statements)

References 14 publications

(42 reference statements)

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“…The Monaco framework is a tool for the simulation of quantum cascade devices, here used for the optimization of QCDs employing Bayesian optimization based on Gaussian process regression. For the implementation of this software project, we follow the guidelines of the bertha project skeleton (Riesch et al 2020). The project is based on Matlab objectoriented programming, the version control system git together with the appropriate project management tool GitLab are used for the development of new tool features.…”

Section: Implementation: Monaco Frameworkmentioning

confidence: 99%

Bayesian optimization of quantum cascade detectors

et al. 2021

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A Bayesian optimization algorithm in combination with a scattering based simulation approach is used for the optimization of quantum cascade detectors (QCDs). QCDs operate in the mid-infrared and terahertz regime and are, together with quantum cascade lasers, appropriate for the integration into on-chip applications such as gas sensors. Our modeling approach is based on a rate equation model and a Kirchhoff resistance network for noise modeling, using scattering rates calculated with Fermi’s golden rule, or alternatively extracted from an ensemble Monte Carlo transport approach. The appropriate surrogate model of Bayesian optimization is based on Gaussian process regression, which can handle noisy offsets on the objective function evaluations inherent in ensemble Monte Carlo simulations. Here, we focus on the optimization of a matured mid-infrared QCD design detecting at 4.7 $$\upmu {\mathrm{m}}$$ μ m . For optimization we choose as figure of merit the specific detectivity, which is a measure for the signal-to-noise ratio. As the trade-off between high extraction efficiency and low detector conductance is important for good detection performance, we search for the perfect layer composition and vary the thicknesses of different cascade layers. Due to the high-temperature requirements interesting for cost-effective and mobile on-chip sensing applications, a simulation temperature of 300 K is selected. Our optimization strategy yields an improvement of specific detectivity by a factor of $${\sim 2-3}$$ ∼ 2 - 3 at room temperature using two different parameter sets. Furthermore, we investigate the sensitivity of our approach to fabrication tolerances, showing robustness of the optimized designs against growth fluctuations under fabrication conditions.

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Section: Implementation: Monaco Frameworkmentioning

confidence: 99%

Bayesian optimization of quantum cascade detectors

et al. 2021

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“…For Python, the approach in Ioannides ( 2018) is very helpful. Apart from that, we have recently demonstrated the most comprehensive project skeleton for C++ with Python bindings (Riesch and Jirauschek 2019), which implements all best practices mentioned in Sect. 2, while it is also capable of building and installing an associated Python interface module using SWIG.…”

Section: Project Skeletons For Scientific Softwarementioning

confidence: 99%

Realization of best practices in software engineering and scientific writing through ready-to-use project skeletons

2021

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Efforts in providing high-quality scientific software are hardly rewarded, as scientific output is typically measured in terms of publications in high ranking journals. As a result, scientific software is often developed without proper documentation and support of modern software design patterns. Ready-to-use project skeletons can be employed to accelerate the development process, while at the same time taking care of the implementation of best practices in software engineering. In this work, we revisit best practices in software engineering and review existing project skeletons. Special emphasis is given on the realization of best practices. Finally, we present a new project skeleton for scientific writing in "Image missing", which takes care of the attainment of best practices, adapted for being used in academic publications.

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“…We decided to use the C++ programming language for performance reasons, and offer bindings for Python in order to provide an easy-to-use interface for the researchers. Both programming languages are established in the scientific community and should constitute a reasonable choice [52].…”

Section: Implementation Of Mbsolvementioning

confidence: 99%

“…During the development of the software presented in this paper, we identified best practices in (scientific) software development and implemented them. In order to provide guidance for other software projects, we compiled our findings into a project skeleton [52]. This skeleton can be used to create new software project with a few button clicks.…”

Section: Project Management and Software Quality Assurancementioning

confidence: 99%

Mbsolve: An open-source solver tool for the Maxwell-Bloch equations

Riesch,

Jirauschek

2020

Preprint

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The Maxwell-Bloch equations are a valuable tool to model light-matter interaction, where the application examples range from the description of pulse propagation in two-level media to the elaborate simulation of optoelectronic devices, such as the quantum cascade laser (QCL). In this work, we present mbsolve, an open-source solver tool for the Maxwell-Bloch equations. Here, we consider the one-dimensional Maxwell's equations, which are coupled to the Lindblad equation. The resulting generalized Maxwell-Bloch equations are treated without invoking the rotating wave approximation (RWA). Since this full-wave treatment is computationally intensive, we provide a flexible framework to implement different numerical methods and/or parallelization techniques. On this basis, we offer two solver implementations that use OpenMP for parallelization.

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bertha: Project skeleton for scientific software

Cited by 11 publications

References 14 publications

Bayesian optimization of quantum cascade detectors

Bayesian optimization of quantum cascade detectors

Realization of best practices in software engineering and scientific writing through ready-to-use project skeletons

Mbsolve: An open-source solver tool for the Maxwell-Bloch equations

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