Marek Sierka

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 13

Top Topics

Density Functional Theory

Raman Spectroscopy

Top Venues

Materials (Basel, Switzerland)

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Tim Schrader, Eva Perlt, Torsten Fritz, Marek Sierka
Performance of Common Density Functionals for Excited States of Tetraphenyldibenzoperiflanthene. The journal of physical chemistry. A (2023)
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Sonia Coriani, Fabio Della Sala, Eduardo Fabiano, Daniil A Fedotov, Susanne Fürst, Sebastian Gillhuber, Robin Grotjahn, Martin Kaupp, Max Kehry, Marjan Krstić, Fabian Mack, Sourav Majumdar, Brian D Nguyen, Shane M Parker, Fabian Pauly, Ansgar Pausch, Eva Perlt, Gabriel S Phun, Ahmadreza Rajabi, Dmitrij Rappoport, Bibek Samal, Tim Schrader, Manas Sharma, Enrico Tapavicza, Robert S Treß, Vamsee K Voora, Artur Wodyński, Jason M Yu, Benedikt Zerulla, Filipp Furche, Christof Hättig, Marek Sierka, David P Tew, Florian Weigend
TURBOMOLE: Today and Tomorrow. Journal of chemical theory and computation (2023)
Manas Sharma, Marek Sierka
Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions. Journal of chemical theory and computation 18 (11) (2022)
Ya-Fan Chen, Christian Schroeder, Christopher M Lew, Stacey I Zones, Hubert Koller, Marek Sierka
Cooperativity of silanol defect chemistry in zeolites. Physical chemistry chemical physics : PCCP (2022)
Mohamed Zekri, Andreas Herrmann, Andreas Erlebach, Kamel Damak, Christian Rüssel, Marek Sierka, Ramzi Maalej
The Structure of Gd3+-Doped Li2O and K2O Containing Aluminosilicate Glasses from Molecular Dynamics Simulations. Materials (Basel, Switzerland) 14 (12) (2021)
Mingzhe Chi, Rihab Gargouri, Tim Schrader, Kamel Damak, Ramzi Maalej, Marek Sierka
Atomistic Descriptors for Machine Learning Models of Solubility Parameters for Small Molecules and Polymers. Polymers 14 (1) (2021)
Andreas Erlebach, Ghada B Hassine, Christian Thieme, Katrin Thieme, Christian Rüssel, Marek Sierka
Phase stability determination of negative thermal expansion silicates by theory and experiment. Physical chemistry chemical physics : PCCP 23 (45) (2021)
Hagen W Klemm, Mauricio J Prieto, Feng Xiong, Ghada B Hassine, Markus Heyde, Dietrich Menzel, Marek Sierka, Thomas Schmidt, Hans-Joachim Freund
A Silica Bilayer Supported on Ru(0001): Following the Crystalline-to Vitreous Transformation in Real Time with Spectro-microscopy. Angewandte Chemie (International ed. in English) 59 (26) (2020)
Carolin Müller, Manas Sharma, Marek Sierka
Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method. Journal of computational chemistry 41 (30) (2020)
Martin Becker, Marek Sierka
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor. Journal of computational chemistry 40 (29) (2019)
Martin Becker, Marek Sierka
Atomistic Simulations of Plasma-Enhanced Atomic Layer Deposition. Materials (Basel, Switzerland) 12 (16) (2019)
Mohamed Zekri, Andreas Erlebach, Andreas Herrmann, Kamel Damak, Christian Rüssel, Marek Sierka, Ramzi Maalej
Structure Prediction of Rare Earth Doped BaO and MgO Containing Aluminosilicate Glasses⁻the Model Case of Gd₂O₃. Materials (Basel, Switzerland) 11 (10) (2018)
Carolin Hühn, Andreas Erlebach, Dorothea Mey, Lothar Wondraczek, Marek Sierka
Ab Initio energetics of SiO bond cleavage. Journal of computational chemistry 38 (27) (2017)