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Chemistry
Netherlands
2025

D-Index & Metrics

Chemistry

D-Index
80
Citations
21640
World Ranking
3441
National Ranking
77

Research.com Recognitions

  • 2025 - Research.com Chemistry in Netherlands Leader Award
  • 2022 - Research.com Chemistry in Netherlands Leader Award

Overview

Thijs J. H. Vlugt is affiliated with Delft University of Technology in the Netherlands. Their research activity spans across multiple domains within engineering, particularly focusing on subfields such as biomedical engineering, materials chemistry, mechanical engineering, inorganic chemistry, and catalysis.

The scientist's work covers a broad range of topics with a primary emphasis on phase equilibria and thermodynamics, carbon dioxide capture technologies, thermodynamic properties of mixtures, zeolite catalysis and synthesis, ionic liquids properties and applications, metal-organic frameworks synthesis and applications, and chemical and physical properties in aqueous solutions.

Thijs J. H. Vlugt's recent publications include:

  • Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far, 2020, Molecular Simulation
  • Influence of Nanoscale Intimacy and Zeolite Micropore Size on the Performance of Bifunctional Catalysts for n-Heptane Hydroisomerization, 2020, ACS Catalysis
  • Direct Water Injection in Catholyte-Free Zero-Gap Carbon Dioxide Electrolyzers, 2020, ChemElectroChem
  • Electroreduction of CO2/CO to C2 Products: Process Modeling, Downstream Separation, System Integration, and Economic Analysis, 2021, Industrial & Engineering Chemistry Research
  • Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide, 2021, ACS Applied Materials & Interfaces

Frequently, Thijs collaborates with other researchers in the field. Key co-authors include Othonas A. Moultos, David Dubbeldam, Mahinder Ramdin, Sofía Calero, and Poulumi Dey.

The scientist's works are predominantly published in venues such as The Journal of Chemical Physics, Molecular Physics, Journal of Chemical & Engineering Data, The Journal of Physical Chemistry C, and Industrial & Engineering Chemistry Research, evidencing a focus on chemical physics and engineering applications.

Best Publications

  • State-of-the-Art of CO2 Capture with Ionic Liquids

    Mahinder Ramdin;Theo W. de Loos;Thijs J.H. Vlugt

  • Quantum cutting by cooperative energy transfer in Yb x Y 1 − x P O 4 : Tb 3 +

    P. Vergeer;T. J. H. Vlugt;M. H. F. Kox;M. I. den Hertog

  • Molecular Simulations of Adsorption Isotherms for Linear and Branched Alkanes and Their Mixtures in Silicalite

    T. J. H. Vlugt;R. Krishna;B. Smit

  • Adsorption-Driven Heat Pumps: The Potential of Metal-Organic Frameworks

    Martijn F. de Lange;Karlijn J. F. M. Verouden;Thijs J. H. Vlugt;Jorge Gascon

  • United Atom Force Field for Alkanes in Nanoporous Materials

    D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  • Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.

    Sofía Calero;David Dubbeldam;Rajamani Krishna;Berend Smit

  • Improving the efficiency of the configurational-bias Monte Carlo algorithm

    T. J. H. Vlugt;M. G. Martin;B. Smit;J. I. Siepmann

  • Downconversion for solar cells in YF3:Nd3+, Yb3+

    Janne-Mieke Meijer;Linda Aarts;Bryan M. van der Ende;Thijs J. H. Vlugt

  • Force network ensemble : a new approach to static granular matter

    Jacco H. Snoeijer;Thijs J. H. Vlugt;Martin van Hecke;Wim van Saarloos

  • Improving the efficiency of the CBMC algorithm

    T.J.H. Vlugt;M.G. Martin;B. Smit;J.I. Siepmann

  • Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

    Almudena García-Sánchez;Conchi O. Ania;José B. Parra;David Dubbeldam

  • Influence of Framework Flexibility on the Adsorption Properties of Hydrocarbons in the Zeolite Silicalite

    Thijs J. H. Vlugt;Merijn Schenk

  • Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

    T. J. H. Vlugt;E. García-Pérez;D. Dubbeldam;S. Ban

  • Kirkwood–Buff Integrals for Finite Volumes

    Peter Krüger;Sondre K. Schnell;Dick Bedeaux;Signe Kjelstrup;Signe Kjelstrup

  • Mechanical properties of clathrate hydrates: status and perspectives

    Fulong Ning;Yibing Yu;Signe Kjelstrup;Signe Kjelstrup;Thijs J. H. Vlugt

  • Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

    Juan Manuel Castillo;Thijs J. H. Vlugt;Sofía Calero

  • Adsorption of Linear and Branched Alkanes in the Zeolite Silicalite-1

    T. J. H. Vlugt;W. Zhu;F. Kapteijn;J. A. Moulijn

  • Force field parametrization through fitting on inflection points in isotherms.

    D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  • Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory

    D. Dubbeldam;E. Beerdsen;T. J. H. Vlugt;B. Smit

  • Adsorptive characterization of porous solids: Error analysis guides the way

    Martijn F. De Lange;Thijs J.H. Vlugt;Jorge Gascon;Freek Kapteijn

  • Molecular simulations of interacting nanocrystals.

    Philipp Schapotschnikow;René Pool;Thijs J. H. Vlugt

Frequent Co-Authors

David Dubbeldam
David Dubbeldam University of Amsterdam
Sofia Calero
Sofia Calero Eindhoven University of Technology
Signe Kjelstrup
Signe Kjelstrup Norwegian University of Science and Technology
Berend Smit
Berend Smit University of California, Berkeley
André Bardow
André Bardow ETH Zurich
Dick Bedeaux
Dick Bedeaux Norwegian University of Science and Technology
Freek Kapteijn
Freek Kapteijn Delft University of Technology
Rajamani Krishna
Rajamani Krishna University of Amsterdam
Joachim Gross
Joachim Gross University of Münster
Jorge Gascon
Jorge Gascon King Abdullah University of Science and Technology

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