Free energy curves for the Volmer reaction obtained from molecular dynamics simulation based on quantum chemistry von Santos, Elizabeth, Aradi, Bálint, van der Heide, Tammo, Schmickler, Wolfgang

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Molecular dynamics study of plasmon-mediated chemical transformations von Wu, Xiaoyan, van der Heide, Tammo, Wen, Shizheng, Frauenheim, Thomas, Tretiak, Sergei, Yam, ChiYung, Zhang, Yu

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Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States von Sun, Wenbo, Fan, Guozheng, van der Heide, Tammo, McSloy, Adam, Frauenheim, Thomas, Aradi, Bálint

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Benchmark Data Set of Crystalline Organic Semiconductors von Zhugayevych, Andriy, Sun, Wenbo, van der Heide, Tammo, Lien-Medrano, Carlos R., Frauenheim, Thomas, Tretiak, Sergei

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Why DFT‐Based Tight Binding Gives a Better Representation of the Potential at Metal‐Solution Interfaces than DFT Does von Quaino, Paola, Nuñez, José Luis, Aradi, Bálint, van der Heide, Tammo, Santos, Elizabeth, Schmickler, Wolfgang

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Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight-binding von van der Heide, Tammo, Hourahine, Ben, Aradi, Bálint, Frauenheim, Thomas, Niehaus, Thomas A

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Hybrid functionals for periodic systems in the density functional tight-binding method von van der Heide, Tammo, Aradi, Bálint, Hourahine, Ben, Frauenheim, Thomas, Niehaus, Thomas A

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Molecular Dynamics Study of Plasmon-Mediated Chemical Transformations von Wu, Xiaoyan, van der Heide, Tammo, Frauenheim, Thomas, Tretiak, Sergei, Yam, ChiYung, Zhang, Yu

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Fortnet, a software package for training Behler-Parrinello neural networks von van der Heide, Tammo, Kullgren, Jolla, Broqvist, Peter, Bačić, Vladimir, Frauenheim, Thomas, Aradi, Bálint

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Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight-binding von van der Heide, Tammo, Hourahine, Ben, Aradi, Bálint, Frauenheim, Thomas, Niehaus, Thomas A

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Healthy shopping dynamics: The healthiness of sequential grocery choices von van Ittersum, Koert, van der Heide, Martine T., Holtrop, Niels, Bijmolt, Tammo H.A., van Doorn, Jenny

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