Randall Q. Snurr
Authored:
(102e) Computational Design of Metal-Organic Frameworks for Gas Storage
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(223ad) In silico Design of Nanostructured Porous Materials for Environmental Applications
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(134a) Computational Screening of Metal-Organic Frameworks for Hexane Isomer Separation
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(452d) Combining Ab Initio and Classical Simulation Techniques in a High-Throughput Fashion to Assess Hydrogen Uptake in Metal-Organic Frameworks
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(680h) Development of an Evaluation Metric from Pressure Swing Adsorption Simulations for Rapid Material Screening
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(452d) High-Throughput Screening of Metal-Organic Frameworks for Hydrogen Storage
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(718b) Chiral MOFs: Building Blocks, Features and Design of New Frameworks
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(449cg) High-Throughput Screening of Metal-Organic Frameworks for CO2 Capture at High Humidity
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(388g) Compilation and Analysis of the Computation-Ready, Experimental Metal-Organic Frameworks: Core MOF Version 2.0
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(137c) Development and Optimization of Pressure/Temperature Swing Adsorption for Post-Combustion Carbon Capture
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(339a) Applicability of Consistency Criteria to Calculate BET Areas in Metal-Organic Frameworks (MOFs) with Simultaneous Micro- and Meso-Porosity
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(777e) Unraveling the Role of Pore Topology and Chemical Functionality on the Carbon Capture Performance of Metal-Organic Frameworks
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(582e) Application of a Genetic Algorithm to Screen Metal-Organic Frameworks: Pre-Combustion CO2/H2 Separation
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(621bu) A Modeling Approach for MOF-Encapsulated Metal Catalysts and Application to Butane Oxidation
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(483c) Large-Scale Topologically-Guided Design of Metal-Organic Frameworks and Application to Cryo-Adsorbed Hydrogen Storage
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(260c) First-Principles Study of Chemical Warfare Agent Decomposition on Metal-Organic Frameworks
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(218i) Computationally-Efficient High-Throughput Screening of Metal-Organic Frameworks for Hydrogen Storage
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192ah) Density Functional Theory Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(276e) Pressure Swing Adsorption Cycle Synthesis Utilizing Artificial Neural Networks As Surrogate Models
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(305b) High-Throughput Computational Screening As a Tool for Understanding the Molecular Thermodynamics of Adsorption
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(595b) Identifying New Descriptors for Gas Storage in Nanoporous Materials
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(731g) Catalytic Activity of Porphyrin-Supported Iron Oxide Clusters for Methane Oxidation
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(764g) Framework-Topology-Dependent Catalytic Activity of Zirconium-Based, Porphyrinic Metal-Organic Frameworks
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(682a) Insights and Rational Design of Metal-Organic Frameworks for Enantiomers Separations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(551e) Molecular Modeling of Adsorption of CO2 and Water in Hydrophobic Metal-Organic Frameworks
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(220a) Computationally-Efficient High-Throughput Screening of Nanoporous Materials for Hydrogen Storage
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189l) Competitive Adsorption of Toxic Gases in a Humid Environment: Insights from Density Functional Theory
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(618a) Structure and Activity of Alumina-Supported VOx-TiO2 Catalysts
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(504c) Computational Screening of Metal-Organic Frameworks for Direct Methane to Methanol Conversion
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(128g) Combined Molecular- and Process-Level Modeling to Evaluate Metal-Organic Frameworks for Post-Combustion CO2 Capture
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(611j) Accelerating the Characterization and Design of Nanoporous Materials with Data-Driven Models
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189ak) Web Applications for Rapid Characterization of Nanoporous Materials
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(629g) Pressure Swing Adsorption Cycle Synthesis Utilizing Artificial Neural Networks As Surrogate Models
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(172c) DFT Study on the Catalytic Activity of Oxo-Centered Trimetallic MOF Building Units for Ethane Oxidation to Ethanol
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189an) DFT Study on the Catalytic Activity of ALD-Grown Iron Oxide Nanoclusters for the Partial Oxidation of Methane to Methanol
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(113c) Using Data Analytics to Find Promising Metal–Organic Frameworks for Adsorption Applications
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(147f) Identifying Promising Metal–Organic Frameworks for Methane Activation Via High-Throughput Periodic Density Functional Theory
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(704i) Effects of Topology and Pore Size of Metal-Organic Frameworks on Their Adsorption and Transport Properties: Insights from Molecular Simulations
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(668b) Topological Effects on Separation of Alkane Isomers in Metal-Organic Frameworks
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(592d) Impact of H2O and CO2 on Methane Storage in Metal-Organic Frameworks
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
Associated proceedings:
2014 AIChE Annual Meeting
2016 AIChE Annual Meeting
2015 AIChE Annual Meeting Proceedings
2017 Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting