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Chemistry

D-Index
45
Citations
7114
World Ranking
16479
National Ranking
1193

Overview

Rochus Schmid is affiliated with Ruhr University Bochum in Germany and actively contributes to the fields of Materials Science and Chemistry. Their research primarily focuses on Materials Chemistry and Inorganic Chemistry, with investigations extending into Electronic, Optical and Magnetic Materials, Biomedical Engineering, and Organic Chemistry.

The main research topics associated with Schmid's work include:

  • Metal-Organic Frameworks: Synthesis and Applications
  • X-ray Diffraction in Crystallography
  • Machine Learning in Materials Science
  • Crystallization and Solubility Studies
  • Magnetism in coordination complexes
  • Crystallography and molecular interactions
  • Catalytic Processes in Materials Science

Schmid has published extensively, with their work appearing in a range of scientific journals. Frequent publication venues include:

  • The Cambridge Structural Database
  • Faraday Discussions
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • Journal of Chemical Theory and Computation

Several notable recent papers demonstrate the thematic breadth and depth of Schmid's research:

  • Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System (2023), published in Angewandte Chemie International Edition
  • Frustrated flexibility in metal-organic frameworks (2021), published in Nature Communications
  • Configurational Entropy Driven High-Pressure Behaviour of a Flexible Metal-Organic Framework (MOF) (2020), published in Angewandte Chemie International Edition
  • Modulating Liquid-Liquid Transitions and Glass Formation in Zeolitic Imidazolate Frameworks by Decoration with Electron-Withdrawing Cyano Groups (2023), published in Journal of the American Chemical Society
  • Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene (2020), published in Journal of Chemical Theory and Computation

Collaboration has been a significant aspect of Schmid's scholarly activity. Frequent coauthors include:

  • Julian Keupp (18 joint publications)
  • Roman Pallach (12 joint publications)
  • Louis Frentzel-Beyme (12 joint publications)
  • Sebastian Henke (12 joint publications)
  • Kai Terlinden (11 joint publications)

Best Publications

  • Metal@MOF: Loading of Highly Porous Coordination Polymers Host Lattices by Metal Organic Chemical Vapor Deposition

    Stephan Hermes;Marie-Katrin Schröter;Rochus Schmid;Lamma Khodeir

  • Surface chemistry of metal-organic frameworks at the liquid-solid interface.

    Denise Zacher;Rochus Schmid;Christof Wöll;Roland A. Fischer

  • Structural complexity in metal-organic frameworks: simultaneous modification of open metal sites and hierarchical porosity by systematic doping with defective linkers.

    Zhenlan Fang;Johannes P. Dürholt;Max Kauer;Wenhua Zhang

  • Loading of porous metal–organic open frameworks with organometallic CVD precursors: inclusion compounds of the type [LnM]a@MOF-5

    Stephan Hermes;Felicitas Schröder;Saeed Amirjalayer;Rochus Schmid

  • Molecular Dynamics Simulation of Benzene Diffusion in MOF‐5: Importance of Lattice Dynamics

    Saeed Amirjalayer;Maxim Tafipolsky;Rochus Schmid

  • A Cryogenically Flexible Covalent Organic Framework for Efficient Hydrogen Isotope Separation by Quantum Sieving

    Hyunchul Oh;Suresh Babu Kalidindi;Youngje Um;Sareeya Bureekaew

  • MOF-FF – A flexible first-principles derived force field for metal-organic frameworks

    Sareeya Bureekaew;Saeed Amirjalayer;Saeed Amirjalayer;Maxim Tafipolsky;Maxim Tafipolsky;Christian Spickermann;Christian Spickermann

  • QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.

    Louis Vanduyfhuys;Steven Vandenbrande;Toon Verstraelen;Rochus Schmid

  • Pentlandite rocks as sustainable and stable efficient electrocatalysts for hydrogen generation.

    Bharathi Konkena;Kai junge Puring;Ilya Sinev;Stefan Piontek

  • A novel method to measure diffusion coefficients in porous metal–organic frameworks

    Olexandra Zybaylo;Osama Shekhah;Hui Wang;Maxim Tafipolsky

  • Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System.

    Unknown

  • Flexibility and Sorption Selectivity in Rigid Metal–Organic Frameworks: The Impact of Ether‐Functionalised Linkers

    Sebastian Henke;Rochus Schmid;Jan-Dierk Grunwaldt;Roland A. Fischer

  • Ab initio parametrized MM3 force field for the metal-organic framework MOF-5

    Maxim Tafipolsky;Saeed Amirjalayer;Rochus Schmid

  • Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approach.

    Maxim Tafipolsky;Rochus Schmid

  • Frustrated flexibility in metal-organic frameworks.

    Roman Pallach;Julian Keupp;Kai Terlinden;Louis Frentzel-Beyme

  • Metall@MOF: Beladung hoch poröser Koordinationspolymergitter durch Metallorganische Chemische Dampfabscheidung

    Stephan Hermes;Marie-Katrin Schröter;Rochus Schmid;Lamma Khodeir

  • First-Principles-Derived Force Field for Copper Paddle-Wheel-Based Metal−Organic Frameworks

    Maxim Tafipolsky;Saeed Amirjalayer;Rochus Schmid

  • Fe−B Bonding in (Dibromoboryl)ferrocene: A Structural and Theoretical Investigation

    Andrea Appel;Frieder Jäkle;Thomas Priermeier;Rochus Schmid

  • The [Ga2(C5Me5)]+ ion: bipyramidal double-cone structure and weakly coordinated, monovalent Ga+.

    Beatrice Buchin;Christian Gemel;Thomas Cadenbach;Rochus Schmid

  • A Molecular Model To Explain and Predict the Stereoselectivity in Rhodium-Catalyzed Hydroformylation†

    Dieter Gleich;Rochus Schmid;Wolfgang A. Herrmann

  • Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical Investigation

    Saeed Amirjalayer;Maxim Tafipolsky;Rochus Schmid

  • An Accurate Force Field Model for the Strain Energy Analysis of the Covalent Organic Framework COF-102

    Rochus Schmid;Maxim Tafipolsky

  • Mechanistic insights into an unprecedented C-C bond activation on a Rh/Ga bimetallic complex: a combined experimental/computational approach.

    Thomas Cadenbach;Christian Gemel;Rochus Schmid;Roland A. Fischer

  • Surface Chemistry of Metal—Organic Frameworks at the Liquid—Solid Interface

    Denise Zacher;Rochus Schmid;Christof Woell;Roland A. Fischer

Frequent Co-Authors

Roland A. Fischer
Roland A. Fischer Technical University of Munich
Wolfgang A. Herrmann
Wolfgang A. Herrmann Technical University of Munich
Christian Gemel
Christian Gemel Technical University of Munich
Martin Muhler
Martin Muhler Ruhr University Bochum
Egbert Zojer
Egbert Zojer Graz University of Technology
Dirk Volkmer
Dirk Volkmer University of Augsburg
Yuemin Wang
Yuemin Wang Karlsruhe Institute of Technology
Mirza Cokoja
Mirza Cokoja Technical University of Munich
Stefan Kaskel
Stefan Kaskel TU Dresden

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