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Showing 1 to 1 of 1 for “"π conjugation of organic molecules"”.

  1. Accelerating Materials Discovery for Optical Applications using Machine Learning, Natural Language Processing and Density Functional Theory

    … calculations to accelerate the discovery of materials with desirable optical properties. Unlike traditional experimental research programmes, this work emphasises the significant contributions in terms of knowledge and technological outcomes resulting from the study. The thesis begins by …

    cambridge Repository record for Accelerating Materials Discovery for Optical Applications using Machine Learning, Natural Language Processing and Density Functional Theory (opens in a new tab)