Sökning: "Claudia Bratu"

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  1. 1. Machine Learning of Crystal Formation Energies with Novel Structural Descriptors

    Master-uppsats, Linköpings universitet/Teoretisk Fysik

    Författare :Claudia Bratu; [2017]
    Nyckelord :Machine learning; crystal; formation energy; kernel ridge regression; KRR; representation; descriptor; feature vector representation;

    Sammanfattning : To assist technology advancements, it is important to continue the search for new materials. The stability of a crystal structures is closely connected to its formation energy. By calculating the formation energies of theoretical crystal structures it is possible to find new stable materials. LÄS MER