Randall 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)
(631f) Tuning the Reactivity of Metal?Triazolate Frameworks for the Catalytic Oxidation of Strong C?H Bonds
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(346k) Leveraging Quantum-Chemical Screening Methods to Guide the Discovery of Promising Metal?Organic Frameworks
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(199e) Computational Screening of Metal-Catecholate Functionalized Metal-Organic Frameworks for Room Temperature Hydrogen Storage
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(86a) Advanced Monte Carlo Techniques for Simulating Xylene Isomer Separations in One-Dimensional Metal-Organic Frameworks
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(346au) Machine Learning Using the Guest/Host Energy Histogram to Predict the Adsorption of Chain Molecules
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(529f) High-Throughput Screening of Alkane and Organophosphate Diffusion in Metal-Organic Frameworks
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(66g) Computational Design of Metal-Organic Frameworks for Energy-Efficient Adsorption-Based Refrigeration Systems
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(51b) Machine Learning the Quantum-Chemical Properties of Metal-Organic Frameworks for Accelerated Materials Discovery with a New Electronic Structure Database
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(539a) Molecular Simulation of Adsorption Hysteresis of n-Alkanes in Nanoporous Materials
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(178g) Combining Molecular Simulation and Machine Learning to Find Optimal Conditions for Hydrogen Storage and Hydrogen/Nitrogen/Ammonia Separation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(192c) Two-Dimensional Energy Histograms As Features for Machine Learning to Predict Adsorption in Metal-Organic Frameworks
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(582j) Computational Screening to Identify Metal-Organic Frameworks for Water Harvesting
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(572c) Mofdb: An Accessible Online Database of Computational Adsorption Data for Nanoporous Materials
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(582d) Computational Design of Metal Oxide Nanoclusters for Selective Partial Oxidation of Hydrocarbons
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(191d) Accelerated Prediction of Metal–Organic Framework Electronic Properties Via High-Throughput Quantum-Chemical Calculations and Machine Learning
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(191a) Energy Fingerprints for Machine Learning Prediction of Adsorption in Nanoporous Materials
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(610h) Implementation of Genetic Algorithms to Optimize Metal-Organic Frameworks for CO2 Capture
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(383c) Capillary Condensation and Hysteresis in Nanoporous Materials: New Simulations and New Insights
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
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
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Annual Meeting