【摘 要】
：
On the steady search for advanced or even novel materials with tailored properties and functions, high-throughput screening is by now an established branch
【机 构】
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Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6, D-14195 Berlin, Germany
【出 处】
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The 6th International Conference on Nanoscience and Technolo
论文部分内容阅读
On the steady search for advanced or even novel materials with tailored properties and functions, high-throughput screening is by now an established branch of materials research. For successfully exploring the chemical-compound space from a computational point of view, two aspects are crucial. These are (i) reliable methodologies to accurately describe all relevant properties for all materials on the same footing, and (ii) new concepts for getting insight into the big data of materials that are produced since many years with an exponential growth rate.
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