6 research outputs found

    Database-driven High-Throughput Calculations and Machine Learning Models for Materials Design

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    This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered, crystal structures, although the methods naturally extend into more complicated configurations. Efficient and robust computational methods, computational power, and reliable methods for automated database-driven high-throughput computation are combined to produce high-quality data sets. This data can be used to train machine learning models for predicting the stability of bulk materials and their properties. The underlying computational methods and the tools for automated calculations are discussed in some detail. Various machine learning models and, in particular, descriptors for general use in materials design are also covered.Comment: 19 pages, 2 figure

    Rituximab in the treatment of nodal Bcell marginal zone lymphoma, primary Sjogren’s syndrome and autoimmune hepatitis

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    Rituximab in the treatment of nodal B- cell marginal zone lymphoma, primary Sjogren’s syndrome and autoimmune hepatitis A case of nodal B- cell marginal zone lymphoma, primary Sjogren’s syndrome and autoimmune hepatitis treated with rituximab is presented

    Sensitivity Reduction and Robustness

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    Structural parameters of the nearest surrounding of halide ions in the aqueous electrolyte solutions

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