Randall Q. Snurr

Research interests

Publications

• Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

  Matter · 2021 · 10.1016/j.matt.2021.02.015

• Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

  Journal of Chemical & Engineering Data · 2019 · 10.1021/acs.jced.9b00835

• Metal–organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents

  Chemical Society Reviews · 2017 · 10.1039/c7cs00108h

• RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

  Molecular Simulation · 2015 · https://doi.org/10.1080/08927022.2015.1010082

• Destruction of chemical warfare agents using metal–organic frameworks

  Nature Materials · 2015 · 10.1038/nmat4238

• Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals

  Chemistry of Materials · 2014 · 10.1021/cm502594j

• A facile synthesis of UiO-66, UiO-67 and their derivatives

  Chemical Communications · 2013 · https://doi.org/10.1039/c3cc46105j

• Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja4050828

• Perfluoroalkane Functionalization of NU-1000 via Solvent-Assisted Ligand Incorporation: Synthesis and CO2 Adsorption Studies

  Journal of the American Chemical Society · 2013 · 10.1021/ja408959g

• Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

  Journal of the American Chemical Society · 2012 · https://doi.org/10.1021/ja3055639

• High Propene/Propane Selectivity in Isostructural Metal–Organic Frameworks with High Densities of Open Metal Sites

  Angewandte Chemie International Edition · 2012 · 10.1002/anie.201107534

• Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal–Organic Frameworks

  Journal of the American Chemical Society · 2012 · 10.1021/ja310596a

• Large-scale screening of hypothetical metal–organic frameworks

  Nature Chemistry · 2011 · https://doi.org/10.1038/nchem.1192

• Review and Analysis of Molecular Simulations of Methane, Hydrogen, and Acetylene Storage in Metal–Organic Frameworks

  Chemical Reviews · 2011 · 10.1021/cr200217c

• Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture

  Angewandte Chemie International Edition · 2011 · 10.1002/anie.201101891

• De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities

  Nature Chemistry · 2010 · 10.1038/nchem.834

• Ultrahigh Porosity in Metal-Organic Frameworks

  Science · 2010 · 10.1126/science.1192160

• Using molecular simulation to characterise metal–organic frameworks for adsorption applications

  Chemical Society Reviews · 2009 · 10.1039/b803498m

• Enhanced CO 2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules

  Chemistry of Materials · 2009 · 10.1021/cm900049x

• Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach

  Journal of the American Chemical Society · 2009 · 10.1021/ja9057234

• Separation of CO 2 from CH 4 Using Mixed-Ligand Metal−Organic Frameworks

  Langmuir · 2008 · 10.1021/la800555x

• Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks

  Journal of the American Chemical Society · 2007 · 10.1021/ja076595g

• Applicability of the BET Method for Determining Surface Areas of Microporous Metal−Organic Frameworks

  Journal of the American Chemical Society · 2007 · 10.1021/ja071174k

• Calculating Geometric Surface Areas as a Characterization Tool for Metal−Organic Frameworks

  The Journal of Physical Chemistry C · 2007 · 10.1021/jp074723h

• Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks

  The Journal of Physical Chemistry B · 2006 · 10.1021/jp060433+

• Design of New Materials for Methane Storage

  Langmuir · 2004 · 10.1021/la0355500

Current projects

No projects listed.