Publications de Marnik Bercx | EPFL Graph Search

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Density-functional theory methods and codes adopting periodic boundary conditions are extensively used in condensed matter physics and materials science research. In 2016, their precision (how well properties computed with different codes agree among each ...

Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...

Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, given the vastness of compositional and configurational space. We highlight he ...

The COVID-19 pandemic disrupted chemistry teaching practices globally as many courses were forced online, necessitating adaptation to the digital platform. The biggest impact was to the practical component of the chemistry curriculum-the so-called wet lab. ...

The prediction of material properties based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation packages. This plurality of codes and methods is both a boon ...

Marnik Bercx

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Plasmonic effects in the neutralization of slow ions at a metallic surface

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

Virtual Computational Chemistry Teaching Laboratories-Hands-On at a Distance

Common workflows for computing material properties using different quantum engines

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds (vol 10, 73, 2024 )