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	91	Density-functional perturbation theory within the all-electron full-potential linearized augmented plane-wave method Gerhorst, Christian-Roman. - Aachen : Universitätsbibliothek der RWTH Aachen, 2022
	92	Development and application of embedded methods to strongly and weakly correlated systems Vitale, Eugenio. - Stuttgart : Universitätsbibliothek der Universität Stuttgart, 2022
	93	Development and application of semi-empirical interatomic potentials to study interface faceting and fracture Alam, Md Masud. - Paderborn : Universitätsbibliothek, 2022
	94	Development of a Generally Applicable Machine Learning Potential with Accurate Long-Range Electrostatic Interactions Ko, Tsz Wai. - Göttingen : Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2022
	95	Development of highly efficient and accurate real-space integration methods for Hartree-Fock and hybrid density functional calculations Laqua, Henryk Sebastian. - München : Universitätsbibliothek der Ludwig-Maximilians-Universität, 2022
	96	Electronic Structure Studies of Iron-Sulfur Clusters: from Model Compounds to the Active Site of Nitrogenase Spiller, Nico. - Bonn : Universitäts- und Landesbibliothek Bonn, 2022
	97	From Density Functional Theory to Tight Binding Ehlert, Sebastian. - Bonn : Universitäts- und Landesbibliothek Bonn, 2022
	98	Fundamental Understanding of Ga-based Compounds by Molecular Simulation Wonglakhon, Tanakorn. - Erlangen : Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 2022
	99	High-performance computing approach to hybrid functionals in the all-electron DFT Code FLEUR Redies, Matthias. - Aachen : Universitätsbibliothek der RWTH Aachen, 2022
	100	Implementation, validation and application of new density functionals for the computation of nuclear magnetic resonance parameters Schattenberg, Caspar Jonas. - Berlin : Technische Universität Berlin, 2022

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