Enviaments recents

  • Challenges in Large Scale Quantum Mechanical Calculations 

    Ratcliff, Laura E.; Mohr, Stephan; Huhs, Georg; Deutsch, Thierry; Masella, Michel; Genovese, Luigi (2016-09-01)
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    During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First ...
  • Towards a Common Format for Computational Material Science Data 

    Ghiringhelli, Luca M.; Carbogno, Christian; Levchenko, Sergey; Mohamed, Fawzi; Huhs, Georg; Lüders, Martin; Oliveira, Micael; Scheffler, Matthias (2016-07-16)
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    Accés obert
    Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., ...

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