Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems. - Joachim Sauer; Marek Sierka (J. Comput. Chem., 2000)

Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory. - Torsten Kerber; Marek Sierka; Joachim Sauer (J. Comput. Chem., 2008)

Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal. - Kathrin Götz; Florian Meier 004; Carlo Gatti; Asbjörn M. Burow; Marek Sierka; Joachim Sauer; Martin Kaupp (J. Comput. Chem., 2010)

Similarity recognition of molecular structures by optimal atomic matching and rotational superposition. - Benjamin Helmich; Marek Sierka (J. Comput. Chem., 2012)

Thermodynamic compatibility of actives encapsulated into PEG-PLA nanoparticles: In Silico predictions and experimental verification. - Andreas Erlebach; Timm Ott; Christoph Otzen; Stephanie Schubert; Justyna Czaplewska; Ulrich S. Schubert; Marek Sierka (J. Comput. Chem., 2016)

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients. - Roman Lazarski; Asbjörn M. Burow; Lukás Grajciar; Marek Sierka (J. Comput. Chem., 2016)

Ab Initio energetics of Si‒O bond cleavage. - Carolin Hühn; Andreas Erlebach; Dorothea Mey; Lothar Wondraczek; Marek Sierka (J. Comput. Chem., 2017)

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor. - Martin Becker 009; Marek Sierka (J. Comput. Chem., 2019)

Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method. - Carolin Müller; Manas Sharma; Marek Sierka (J. Comput. Chem., 2020)