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Computational Materials Discovery


Computational materials discovery is the process of using computers to identify and design new materials with desired properties. This area of research combines aspects of physics, chemistry, and materials science in order to understand how the structure and composition of materials affects their properties. By understanding these relationships, scientists can develop new materials with specific properties for a variety of applications.

A recent trend in computational materials discovery is the use of machine learning algorithms to predict the properties of materials. Another trend is the use of high-throughput methods to screen large numbers of materials for specific properties.

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