Berend Smit

Research interests

Publications

• Understanding the diversity of the metal-organic framework ecosystem

  Nature Communications · 2020 · https://doi.org/10.1038/s41467-020-17755-8

• Materials Cloud, a platform for open computational science

  Repository for Publications and Research Data (ETH Zurich) · 2020 · https://doi.org/10.3929/ethz-b-000440189

• Data-driven design of metal–organic frameworks for wet flue gas CO2 capture

  Nature · 2019 · https://doi.org/10.1038/s41586-019-1798-7

• Carbon capture and storage (CCS): the way forward

  Energy & Environmental Science · 2018 · https://doi.org/10.1039/c7ee02342a

• Introduction: Carbon Capture and Separation

  Chemical Reviews · 2017 · https://doi.org/10.1021/acs.chemrev.7b00403

• Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

  Nature · 2015 · https://doi.org/10.1038/nature14327

• Correction: Corrigendum: Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks

  Nature Communications · 2015 · https://doi.org/10.1038/ncomms7106

• Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks

  Nature Communications · 2014 · https://doi.org/10.1038/ncomms6723

• A hybrid absorption–adsorption method to efficiently capture carbon

  Nature Communications · 2014 · https://doi.org/10.1038/ncomms6147

• Reversible CO Binding Enables Tunable CO/H 2 and CO/N 2 Separations in Metal–Organic Frameworks with Exposed Divalent Metal Cations

  Journal of the American Chemical Society · 2014 · https://doi.org/10.1021/ja505318p

• The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja4004766

• Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja4102979

• Ab initio carbon capture in open-site metal–organic frameworks

  Nature Chemistry · 2012 · https://doi.org/10.1038/nchem.1432

• Carbon Dioxide Capture: Prospects for New Materials

  Angewandte Chemie International Edition · 2010 · https://doi.org/10.1002/anie.201000431

• Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

  Chemical Reviews · 2008 · https://doi.org/10.1021/cr8002642

• Hysteresis in Clay Swelling Induced by Hydrogen Bonding: Accurate Prediction of Swelling States

  Langmuir · 2005 · https://doi.org/10.1021/la051367q

• Molecular Simulations of Swelling Clay Minerals

  The Journal of Physical Chemistry B · 2004 · https://doi.org/10.1021/jp049799h

• Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites

  Journal of the American Chemical Society · 2004 · https://doi.org/10.1021/ja0476056

• Molecular Dynamics Simulations

  Elsevier eBooks · 2002 · https://doi.org/10.1016/b978-012267351-1/50006-7

• Why Clays Swell

  The Journal of Physical Chemistry B · 2002 · https://doi.org/10.1021/jp0264883

• Understanding Molecular Simulation: From Algorithms to Applications

  Journal · 2001 · https://doi.org/10.1016/b978-0-12-267351-1.x5000-7

• Understanding Molecular Simulation

  Computers in Physics · 1997 · https://doi.org/10.1063/1.4822570

Current projects

No projects listed.