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  • Thermodynamics of stacking disorder in ice nuclei

    Authors: David Quigley
    DOI: 10.1063/1.4896376
    Submitted by dquigley      
      Mean reproducibility score:   3.0/10   |   Number of reviews:   1
    Why should we attempt to reproduce this paper?

    The results of this paper have been used in multiple subsequent studies as a benchmark against which other methods of performing the same calculation have been tested. Other groups have challenged the results as suffering from finite size effects, in particular the calculations on mixtures of cubic and hexagonal ice. Should there be time during in the event, participants could check this by performing calculations on larger unit cells. Each individual calculation should converge adequately within 96 hours making it amenable to a HPC ReproHack. Given modern HPC hardware many such calculations could be run concurrently on a single HPC node.

  • Determination of the fundamental absorption and optical bandgap of dielectric thin films from single optical transmittance measurements

    Authors: A. Tejada, L. MontaƱez, C. Torres, P. Llontop, L. Flores-Escalante, F. De Zela, A. Winnacker, and J. A. Guerra
    Submitted by hub-admin    

    Why should we attempt to reproduce this paper?

    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.