The code and data are both on GitHub. The paper has been published in Wellcome Open Research and has been replicated by multiple other authors.
The direct numerical simulations (DNS) for this paper were conducted using Basilisk (http://basilisk.fr/). As Basilisk is a free software program written in C, it can be readily installed on any Linux machine, and it should be straightforward to then run the driver code to re-produce the DNS from this paper. Given this, the numerical solutions presented in this paper are a result of many high-fidelity simulations, which each took approximately 24 CPU hours running between 4 to 8 cores. Hence the difficulty in reproducing the results should mainly be in the amount of computational resources it would take, so HPC resources will be required. The DNS in this paper were used to validate the presented analytical solutions, as well as extend the results to a longer timescale. Reproducing these numerical results will build confidence in these results, ensuring that they are independent of the system architecture they were produced on.
This paper presents a fine example of high-throughput computational materials screening studies, mainly focusing on the carbon nanoclusters of different sizes. In the paper, a set of diverse empirical and machine-learned interatomic potentials, which are commonly used to simulate carbonaceous materials, is benchmarked against the higher-level density functional theory (DFT) data, using a range of diverse structural features as the comparison criteria. Trying to reproduce the data presented here (even if you only consider a subset of the interaction potentials) will help you devise an understanding as to how you could approach a high-throughput structure prediction problem. Even though we concentrate here on isolated/finite nanoclusters, AIRSS (and other similar approaches like USPEX, CALYPSO, GMIN, etc.,) can also be used to predict crystal structures of different class of materials with applications in energy storage, catalysis, hydrogen storage, and so on.
In theory, reproducing this paper should only require a clone of a public Git repository, and the execution of a Makefile (detailed in the README of the paper repository at https://github.com/psychoinformatics-de/paper-remodnav). We've set up our paper to be dynamically generated, retrieving and installing the relevant data and software automatically, and we've even created a tutorial about it, so that others can reuse the same setup for their work. Nevertheless, we've for example never tried it out across different operating systems - who knows whether it works on Windows? We'd love to share the tips and tricks we found to work, and even more love feedback on how to improve this further.
Most of the material is available through Jupyter notebooks in GitHub, and it should be easy to reproduce with the help of Binder. With the notebooks, you could experiment with different parameters to the ones analyzed in the paper. It also contains a large dataset of physical parameters of galaxies analysed in this work. We expect this work to be easily reproducible in the steps described in the repository.
The current code is written in Torch, which is no longer actively maintained. Since deep learning in nanophotonics is an area of active interest (e.g. for the design of new metamaterials), it is important to update the code to use a more modern deep learning library such as tensorflow/keras
- This paper is a good example of a standard social science study that is (I hope!) fully reproducible, from main analysis, to supplementary analyses and figures. - I have not yet received any external feedback w.r.t. its reproducibility, so would be interested to see if I have overlooked any gaps in the reproduction workflow that I anticipated.
The results of the individual studies (4) could be interpreted in support for the hypothesis, but the meta-analysis suggested that implicit identification was not a useful predictor overall. This conclusion is an important goalpost for future work.
We propose a simple method to retrieve optical constants from single optical transmittance measurements, in particular in the fundamental absorption region. The construction of needed envelopes is arbitrary and will depend on the user. However, the method should still be robust and deliver similar results.