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  • The Polar Transition from Alpha to Beta Regions Set by a Surface Buoyancy Flux Inversion

    Authors: Romain Caneill Fabien Roquet Gurvan Madec Jonas Nycander
    DOI: 10.1175/JPO-D-21-0295.1
    Submitted by rcaneill      
      Mean reproducibility score:   0.0/10   |   Number of reviews:   1
    Why should we attempt to reproduce this paper?

    I tried hard to make it reproducible, so hopefully this paper can serve as an example on how reproducibility can be achieved. I think that being reproducible with only few commands to type in a terminal is quite an achievment. At least in my field, where I usually see code published along with paper, but with almost no documentation on how to rerun it.

  • Planning Support Systems for Long-Term Climate Resilience: A Critical Review

    Authors: Supriya Krishnan, Nazli Yonca Aydin & Tina Comes
    DOI: https://doi.org/10.1007/978-3-030-76059-5_24
    Submitted by Supriya.kr09    
    Number of reviews:   1
    Why should we attempt to reproduce this paper?

    This article used an open-source python repository for its analysis. It is well-suited for reproduction as more literature evolves on the intersection of urban planning and climate change. The adapted code is published alongside the article.

  • Accelerating the prediction of large carbon clusters via structure search: Evaluation of machine-learning and classical potentials

    Authors: Bora Karasulu, Jean-Marc Leyssale, Patrick Rowe, Cedric Weber, Carla de Tomas
    DOI: 10.1016/j.carbon.2022.01.031
    Submitted by bkarasulu    
    Number of reviews:   1
    Why should we attempt to reproduce this paper?

    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.

  • Encapsulated Nanowires: Boosting Electronic Transport in Carbon Nanotubes

    Authors: Andrij Vasylenko, Jamie Wynn, Paulo Medeiros, Andrew J Morris, Jeremy Sloan, David Quigley
    DOI: 10.1103/PhysRevB.95.121408
    Submitted by dquigley      
      Mean reproducibility score:   5.0/10   |   Number of reviews:   2
    Why should we attempt to reproduce this paper?

    DFT calculations are in principle reproducible between different codes, but differences can arise due to poor choice of convergence tolerances, inappropriate use of pseudopotentials and other numerical considerations. An independent validation of the key quantities needed to compute electrical conductivity would be valuable. In this case we have published our input files for calculating the four quantities needed to parametrise the transport simulations from which we compute the electrical conductivity. These are specifically electronic band structure, phonon dispersions, electron-phonon coupling constants and third derivatives of the force constants. Each in turn in more sensitive to convergence tolerances than the last, and it is the final quantity on which the conclusions of the paper critically depend. Reference output data is provided for comparison at the data URL below. We note that the pristine CNT results (dark red line) in figure 3 are an independent reproduction of earlier work and so we are confident the Boltzmann transport simulations are reproducible. The calculated inputs to these from DFT (in the case of Be encapsulation) have not been independently reproduced to our knowledge.

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