Titlebook: Artificial Intelligence for Materials Science; Yuan Cheng,Tian Wang,Gang Zhang Book 2021 The Editor(s) (if applicable) and The Author(s),

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Status quo 2015 – Rahmenbedingungen04, tremendous progresses and profound developments have been made in both the fundamental investigations and engineering applications. Unlike the conventional metallic alloys that typically only consist of one or two principal elements, HEA is composed of multi-principal elements in equimolar or ne

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Drei Ziele der Energiewende – Beschreibungional cost, and transferability. In this mini review, we first summarize the disadvantages of traditional force field and the unique advantages of ML-based force field for molecular dynamics simulations. Then the basic workflow to develop the ML atomic force field is discussed in each step. Furtherm

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Tote Zonen in den Meeren – der P/N-Kreislaufomplex interdependence, simultaneous optimization of these properties is a non-trivial and challenging task, especially if one wants to explore the large available search space of materials. With the advent of statistical high-throughput and machine learning based approaches, several of these challe

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Tote Zonen in den Meeren – der P/N-Kreislauf still are obstacles for commercial application. These challenges have motivated significant efforts to search nontoxic and stable alternatives which could achieve comparable high performance with low-cost and facile fabrication methods. With continuing increasing computation powers, first-principle

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