Esch, Beatriz von der (2023): Sampling-based approaches for the computation of reaction paths, stacking interactions, and IR-sepctra applied to the fields of origins of life and enzymatic catalysis. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Grundei, Martin (2023): Application of density functional theory and the random phase approximation under periodic boundary conditions employing Gaussian-type basis functions. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Laqua, Henryk Sebastian (2022): Development of highly efficient and accurate real-space integration methods for Hartree-Fock and hybrid density functional calculations. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Glasbrenner, Michael (2022): Development of efficient and accurate quantum chemical methods for correlation energies and magnetic resonance parameters. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Naydenova, Eli (2021): Computational investigations of the reaction mechanisms of monofunctional DNA glycosylases and the relative binding affinities of Sirtuin 5 inhibitors. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Graf, Daniel (2021): Development of efficient electronic-structure methods based on the adiabatic-connection fluctuation-dissipation theorem and Møller–Plesset perturbation theory. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Dietschreit, Johannes (2020): Advanced techniques for the computer simulation and analysis of biomolecular systems. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Kreppel, Andrea (2020): Quantum-chemical investigations of enzymatic reaction mechanisms and benchmarking of range-separated density-functional theory within the random phase approximation. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Thompson, Travis Hunter (2020): Integral bounds and rigorous screening algorithms for reduced scaling in explicitly correlated, semi-numerical, and non-Hermitian quantum chemistry. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Peters, Laurens Dirk Marga (2020): Development and application of efficient ab initio molecular dynamics simulations of ground and excited states. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Beuerle, Matthias (2019): Development of low-scaling methods to calculate ground state energies and analytical gradients based on the adiabatic-connection fluctuation-dissipation theorem. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Vogler, Sigurd (2018): Development of efficient and low-scaling methods to compute molecular properties at MP2 and double-hybrid DFT levels. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Schurkus, Henry F. (2017): Highly Accurate Random Phase Approximation Methods With Linear Time Complexity. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Roßbach, Sven (2017): Quantum chemical investigations on the discrimination of RNA polymerase II and systematic studies of the QM size convergence. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Lünser, Arne (2017): Development of low-scaling electronic structure methods using rank factorizations and an attenuated Coulomb metric. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Snajberk, Philipp Bertone (2017): Direct density matrix renormalization group approaches for strong correlation effects in quantum chemistry. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Blank, Iris Diana (2016): Quantum-chemical investigations of reaction mechanisms of enzymes and bioactive molecules. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Maurer, Marina (2014): Efficient quantum-chemical methods for calculating NMR shieldings in second-order Møller-Plesset perturbation theory. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Maurer, Simon (2014): Efficient distance-including integral screening for Moller-Plesset perturbation theory of second order and symmetry-adapted perturbation theory. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Clin, Lucien Cyril (2012): Cholesky decomposed density matrices in laplace transform Møller-Plesset perturbation theory. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Flaig, Denis Benjamin (2012): Beschreibung dynamischer molekularer Systeme mit effizienten linear-skalierenden QM- und QM/MM-Methoden. Dissertation, LMU München: Fakultät für Chemie und Pharmazie
Beer, Matthias (2011): Effiziente 'ab-initio' Berechnung molekularer Eigenschaften großer Systeme. Dissertation, LMU München: Fakultät für Chemie und Pharmazie