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Irina Dokukina worked as a PhD student at the Institute of Theoretical and Computational Chemistry in the group of Prof. Christel Marian at Heinrich-Heine-Universität Düsseldorf from October 2013 to October 2018. Currently, Irina is working as a Java-Softwareentwicklerin and Methoden- und Produktmanagerin at parcIT GmbH since January 2019.