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Chemistry

D-Index
59
Citations
12996
World Ranking
10098
National Ranking
730

Overview

Marek Sierka is affiliated with Friedrich Schiller University Jena in Germany. Their research primarily focuses on the field of Materials Science, with significant contributions across several subfields including Materials Chemistry, Atomic and Molecular Physics and Optics, Ceramics and Composites, Physical and Theoretical Chemistry, and Pharmaceutical Science.

The scientist has contributed to over thirty publications in Materials Science, working extensively on topics such as:

  • Glass properties and applications
  • Advanced Chemical Physics Studies
  • Photochemistry and Electron Transfer Studies
  • Spectroscopy and Quantum Chemical Studies
  • Material Dynamics and Properties
  • Machine Learning in Materials Science
  • Advanced Drug Delivery Systems

Some of Marek Sierka's recent papers include:

  • "TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations", 2020, The Journal of Chemical Physics
  • "TURBOMOLE: Today and Tomorrow", 2023, Journal of Chemical Theory and Computation
  • "The effect of glass structure and local rare earth site symmetry on the optical properties of rare earth doped alkaline earth aluminosilicate glasses", 2023, Acta Materialia
  • "Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method", 2020, Journal of Computational Chemistry
  • "Atomistic Descriptors for Machine Learning Models of Solubility Parameters for Small Molecules and Polymers", 2021, Polymers

Marek Sierka has collaborated frequently with several researchers, including:

  • Manas Sharma
  • Mingzhe Chi
  • Christine Weber
  • Stephanie Hoeppener
  • Ulrich S. Schubert

Their work is often published in journals such as:

  • Journal of Chemical Theory and Computation
  • Advanced Engineering Materials
  • Physical Chemistry Chemical Physics
  • Journal of the American Ceramic Society
  • Advanced Optical Materials

The diverse topical focus and publication record of Marek Sierka reflects interdisciplinary research integrating quantum chemical methods, materials chemistry, and applications related to glass materials, photochemistry, and machine learning approaches within the materials science domain.

Best Publications

  • Turbomole

    Filipp Furche;Reinhart Ahlrichs;Christof Hättig;Wim Klopper

  • Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation

    Marek Sierka;Annika Hogekamp;Reinhart Ahlrichs

  • TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

    Sree Ganesh Balasubramani;Guo P. Chen;Sonia Coriani;Michael Diedenhofen

  • Aluminum siting in silicon-rich zeolite frameworks: a combined high-resolution (27)Al NMR spectroscopy and quantum mechanics / molecular mechanics study of ZSM-5.

    Stepan Sklenak;Jirí Dedecek;Chengbin Li;Blanka Wichterlová

  • Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory.

    Torsten Kerber;Marek Sierka;Joachim Sauer

  • Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems

    Joachim Sauer;Marek Sierka

  • The Atomic Structure of a Metal‐Supported Vitreous Thin Silica Film

    Leonid Lichtenstein;Christin Büchner;Bing Yang;Shamil K. Shaikhutdinov

  • Growth and structure of crystalline silica sheet on Ru(0001)

    Daniel Löffler;John J. Uhlrich;M. Baron;Bing Yang

  • Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanics/interatomic potential function study

    Dana Nachtigallová;Petr Nachtigall;Marek Sierka;Joachim Sauer

  • Structure and reactivity of silica and zeolite catalysts by a combined quantum mechanics[ndash ]shell-model potential approach based on DFT

    Marek Sierka;and Joachim Sauer

  • Aluminium siting in the ZSM-5 framework by combination of high resolution 27Al NMR and DFT/MM calculations

    Stepan Sklenak;Jiří Dědeček;Chengbin Li;Blanka Wichterlová

  • Atomic Structure of a Thin Silica Film on a Mo(112) Substrate: A Two-Dimensional Network of SiO4 Tetrahedra

    Jonas Weissenrieder;Sarp Kaya;Jun-Ling Lu;Hong-Jun Gao

  • Density functional study of palladium clusters

    Paola Nava;Marek Sierka;Reinhart Ahlrichs

  • Finding transition structures in extended systems: A strategy based on a combined quantum mechanics–empirical valence bond approach

    Marek Sierka;Joachim Sauer

  • Quantum Crystallography: Current Developments and Future Perspectives

    Alessandro Genoni;Lukas Bučinský;Nicolas Claiser;Julia Contreras-García

  • Effect of Al−Si−Al and Al−Si−Si−Al Pairs in the ZSM-5 Zeolite Framework on the 27Al NMR Spectra. A Combined High-Resolution 27Al NMR and DFT/MM Study

    Jiří Dědeček;Stepan Sklenak;Chengbin Li;Blanka Wichterlová

  • Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra.

    Bing Yang;William E. Kaden;Xin Yu;Jorge Anibal Boscoboinik

  • Unexpected Structures of Aluminum Oxide Clusters in the Gas Phase

    Marek Sierka;Jens Döbler;Joachim Sauer;Gabriele Santambrogio

  • Synergy between theory and experiment in structure resolution of low-dimensional oxides

    Marek Sierka

  • Computational elucidation of the transition state shape selectivity phenomenon.

    Louis A. Clark;Marek Sierka;Joachim Sauer

Frequent Co-Authors

Joachim Sauer
Joachim Sauer Humboldt-Universität zu Berlin
Manfred Scheer
Manfred Scheer University of Regensburg
Hans-Joachim Freund
Hans-Joachim Freund Fritz Haber Institute of the Max Planck Society
Shamil K. Shaikhutdinov
Shamil K. Shaikhutdinov Fritz Haber Institute of the Max Planck Society
Alexander V. Virovets
Alexander V. Virovets University of Regensburg
Gerard Meijer
Gerard Meijer Fritz Haber Institute of the Max Planck Society
Reinhart Ahlrichs
Reinhart Ahlrichs Karlsruhe Institute of Technology
Dario Stacchiola
Dario Stacchiola Brookhaven National Laboratory
Knut R. Asmis
Knut R. Asmis Leipzig University
Lothar Wondraczek
Lothar Wondraczek Friedrich Schiller University Jena

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