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Journal of Chemical Theory and Computation|June 23, 2023
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of StatesWenbo Sun, Guozheng Fan, Tammo van der Heide, et al.Chemical Science|May 14, 2023
Molecular dynamics study of plasmon-mediated chemical transformationsXiaoyan Wu, Tammo van der Heide, Shizheng Wen, et al.Journal of Chemical Theory and Computation|November 16, 2023
Benchmark Data Set of Crystalline Organic SemiconductorsAndriy Zhugayevych, Wenbo Sun, Tammo van der Heide, et al.Journal of Chemical Theory and Computation|May 8, 2025
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic SystemsWenbo Sun, Tammo van der Heide, Van-Quan Vuong, et al.Journal of Chemical Theory and Computation|May 1, 2026
DSKO: Dancing through DFTB ParametrizationArtem Samtsevych, Yihua Song, Tammo van der Heide, et al.The Journal of Chemical Physics|July 13, 2026
Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structuresJunke Jiang, Tammo van der Heide, Simon Thébaud, et al.Pageof 1