Marek Sierka
Orcid: 0000-0001-8153-3682
According to our database1,
Marek Sierka
authored at least 9 papers
between 2000 and 2020.
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Bibliography
2020
Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method.
J. Comput. Chem., 2020
2019
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor.
J. Comput. Chem., 2019
2017
2016
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.
J. Comput. Chem., 2016
Thermodynamic compatibility of actives encapsulated into PEG-PLA nanoparticles: <i>In Silic</i>o predictions and experimental verification.
J. Comput. Chem., 2016
2012
Similarity recognition of molecular structures by optimal atomic matching and rotational superposition.
J. Comput. Chem., 2012
2010
Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal.
J. Comput. Chem., 2010
2008
Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory.
J. Comput. Chem., 2008
2000
Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems.
J. Comput. Chem., 2000