Randall Q. Snurr Citation name: Snurr, R. Q. Affiliation: Northwestern University State: IL Country: USA Authored:(102e) Computational Design of Metal-Organic Frameworks for Gas StorageDiego A. Gomez GualdronRandall Q. SnurrOmar K. FarhaJoseph T. HuppTaner YildirimVaiva KrungleviciuteOleksii V. GutovWojciech BuryJoseph E. MondlochTimothy C. WangBhaskarjyoti Borah2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(223ad) In silico Design of Nanostructured Porous Materials for Environmental ApplicationsYamil J. ColónRandall Q. Snurr2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(134a) Computational Screening of Metal-Organic Frameworks for Hexane Isomer SeparationPeng BaiMaciej HaranczykJ. Ilja SiepmannRandall Q. SnurrYongchul G. Chung2014 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 FrameworksYamil J. ColónDavid Fairen-JimenezChristopher E. WilmerRandall Q. Snurr2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(680h) Development of an Evaluation Metric from Pressure Swing Adsorption Simulations for Rapid Material ScreeningKarson LeperiYongchul G. ChungFengqi YouRandall Q. Snurr2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(452d) High-Throughput Screening of Metal-Organic Frameworks for Hydrogen StorageN. Scott BobbittRandall Q. SnurrJiayi Chen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(718b) Chiral MOFs: Building Blocks, Features and Design of New FrameworksTim DuerinckRandall Q. Snurr2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(449cg) High-Throughput Screening of Metal-Organic Frameworks for CO2 Capture at High HumiditySong LiRandall Q. SnurrYongchul G. Chung2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(388g) Compilation and Analysis of the Computation-Ready, Experimental Metal-Organic Frameworks: Core MOF Version 2.0Yongchul G. ChungBenjamin BuciorEmmanuel HaldoupisHongda ZhangSanliang LinJiayi ChenMarija MillisavljevicJeffrey S. CampBen SlaterMaciej HaranczykDavid ShollJ. Ilja SiepmannRandall Q. Snurr2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(137c) Development and Optimization of Pressure/Temperature Swing Adsorption for Post-Combustion Carbon Capture Karson LeperiFengqi YouRandall Q. Snurr2016 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-PorosityDiego Gomez-GualdronPeyman Z. MoghadamRandall Q. Snurr2016 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 FrameworksDiego Gomez-GualdronEdwin ArguetaRandall Q. Snurr2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(582e) Application of a Genetic Algorithm to Screen Metal-Organic Frameworks: Pre-Combustion CO2/H2 SeparationYongchul G. ChungDiego Gomez-GualdronPeng LiNicolaas VermeulenPravas DeriaFraser StoddartJoseph T. HuppOmar K. FarhaRandall Q. Snurr2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(621bu) A Modeling Approach for MOF-Encapsulated Metal Catalysts and Application to Butane OxidationDiego A. Gomez GualdronRandall Q. SnurrRachel GetmanSean T. DixCassandra Whitford2015 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 StorageYamil J. ColónDiego A. Gomez GualdronRandall Q. Snurr2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(260c) First-Principles Study of Chemical Warfare Agent Decomposition on Metal-Organic FrameworksPeilin LiaoPritha GhoshRandall Q. Snurr2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)(218i) Computationally-Efficient High-Throughput Screening of Metal-Organic Frameworks for Hydrogen StorageN. Scott BobbittArun GopalanBenjamin BuciorJiayi ChenRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(192ah) Density Functional Theory Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride GasesN. Scott BobbittRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(276e) Pressure Swing Adsorption Cycle Synthesis Utilizing Artificial Neural Networks As Surrogate ModelsKarson LeperiFengqi YouRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(305b) High-Throughput Computational Screening As a Tool for Understanding the Molecular Thermodynamics of AdsorptionRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(595b) Identifying New Descriptors for Gas Storage in Nanoporous MaterialsBenjamin BuciorN. Scott BobbittArun GopalanRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(731g) Catalytic Activity of Porphyrin-Supported Iron Oxide Clusters for Methane OxidationMelissa BaronaOmar K. FarhaJoseph T. HuppRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(764g) Framework-Topology-Dependent Catalytic Activity of Zirconium-Based, Porphyrinic Metal-Organic FrameworksOmar K. FarhaDiego Gomez GualdronJoseph T. HuppRandall Q. SnurrPravas Deria2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(682a) Insights and Rational Design of Metal-Organic Frameworks for Enantiomers SeparationsTim DuerinckJoeri DenayerRandall Q. Snurr2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(551e) Molecular Modeling of Adsorption of CO2 and Water in Hydrophobic Metal-Organic FrameworksRandall Q. SnurrHongda ZhangPeyman Z. Moghadam2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(220a) Computationally-Efficient High-Throughput Screening of Nanoporous Materials for Hydrogen StorageN. Scott BobbittBenjamin BuciorArun GopalanNeda BagheriRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(189l) Competitive Adsorption of Toxic Gases in a Humid Environment: Insights from Density Functional TheoryN. Scott BobbittRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(618a) Structure and Activity of Alumina-Supported VOx-TiO2 CatalystsIzabela A. SamekN. Scott BobbittNeil M. SchweitzerRandall Q. SnurrPeter C. Stair2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(504c) Computational Screening of Metal-Organic Frameworks for Direct Methane to Methanol ConversionHieu A. DoanBenjamin BuciorRandall Q. Snurr2018 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 CaptureKarson LeperiBenjamin BuciorJoseph T. HuppOmar K. FarhaFengqi YouRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(611j) Accelerating the Characterization and Design of Nanoporous Materials with Data-Driven ModelsBenjamin BuciorN. Scott BobbittTimur IslamogluSubhadip GoswamiArun GopalanTaner YildirimOmar K. FarhaNeda BagheriRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(189ak) Web Applications for Rapid Characterization of Nanoporous MaterialsBenjamin BuciorRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(629g) Pressure Swing Adsorption Cycle Synthesis Utilizing Artificial Neural Networks As Surrogate ModelsKarson LeperiDaison Yancy-CaballeroRandall Q. SnurrFengqi You2018 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 EthanolRandall Q. SnurrOmar K. FarhaSol AhnMelissa Barona2018 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 MethanolMelissa BaronaJoseph T. HuppOmar K. FarhaRandall Q. Snurr2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(113c) Using Data Analytics to Find Promising Metal–Organic Frameworks for Adsorption ApplicationsBenjamin BuciorSeulchan LeeYongchul G. ChungRandall Q. Snurr2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(147f) Identifying Promising Metal–Organic Frameworks for Methane Activation Via High-Throughput Periodic Density Functional TheoryAndrew RosenJustin M. NotesteinRandall Q. Snurr2019 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 SimulationsRandall Q. SnurrHaoyuan Chen2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(668b) Topological Effects on Separation of Alkane Isomers in Metal-Organic FrameworksN. Scott BobbittRandall Q. Snurr2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(592d) Impact of H2O and CO2 on Methane Storage in Metal-Organic FrameworksDaniel GonçalvesRandall Q. SnurrSebastiao M. P. Lucena2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)