Computer Simulations

News Computer Simulations

  • Quickly identify high-performance multi-element catalysts

    Finding the best material composition among thousands of possibilities is like looking for a needle in a haystack. An international team is combining computer simulations and high-throughput experiments to do this. Catalysts consisting of at least five chemical elements could be the key to overcomin more

  • The origins of roughness

    Most natural and artificial surfaces are rough: metals and even glasses that appear smooth to the naked eye can look like jagged mountain ranges under the microscope. There is currently no uniform theory about the origin of this roughness despite it being observed on all scales, from the atomic to t more

  • How to program materials

    Can the properties of composite materials be predicted? Empa scientists have mastered this feat and thus can help achieve research objectives faster. This leads, for instance, to better recycling techniques and electrically conductive synthetic materials for the solar industry. Ali Gooneie simulate more

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