Randall Q Snurr

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 71

Top Topics

Density Functional Theory

Room Temperature

Metal Organic Framework

Human Serum Albumin

Top Venues

ACS applied materials & interfaces

Journal of the American Chemical Society

Langmuir : the ACS journal of surfaces and colloids

Communications chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Rebecca B Goncalves, Carlos Cuadrado Collados, Christos D Malliakas, Zhiwei Wang, Matthias Thommes, Randall Q Snurr, Joseph T Hupp
Chemically Reversible CO 2 Uptake by Dendrimer-Impregnated Metal-Organic Frameworks. Langmuir : the ACS journal of surfaces and colloids 40 (17) (2024)
Rebecca B Goncalves, Carlos Cuadrado Collados, Christos D Malliakas, Zhiwei Wang, Matthias Thommes, Randall Q Snurr, Joseph T Hupp
Chemically Reversible CO 2 Uptake by Dendrimer-Impregnated Metal-Organic Frameworks. Langmuir : the ACS journal of surfaces and colloids (2024)
Florencia A Son, Kaihang Shi, Randall Q Snurr, Omar K Farha
Measuring Mass Transfer of n -Hexane and 2-Chloroethyl Ethyl Sulfide in Sorbent/Polymer Fiber Composites Using a Volumetric Adsorption Apparatus. ACS applied materials & interfaces (2024)
Xiaoliang Wang, Maytham Alzayer, Arthur J Shih, Saptasree Bose, Haomiao Xie, Simon M Vornholt, Christos D Malliakas, Hussain Alhashem, Faramarz Joodaki, Sammer Marzouk, Grace Xiong, Mark Del Campo, Pierre Le Magueres, Filip Formalik, Debabrata Sengupta, Karam B Idrees, Kaikai Ma, Yongwei Chen, Kent O Kirlikovali, Timur Islamoglu, Karena W Chapman, Randall Q Snurr, Omar K Farha
Tailoring Hydrophobicity and Pore Environment in Physisorbents for Improved Carbon Dioxide Capture under High Humidity. Journal of the American Chemical Society 146 (6) (2024)
Ruihua Zhang, Hilal Daglar, Chun Tang, Penghao Li, Liang Feng, Han Han, Guangcheng Wu, Benjie N Limketkai, Yong Wu, Shuliang Yang, Aspen X-Y Chen, Charlotte L Stern, Christos D Malliakas, Randall Q Snurr, J Fraser Stoddart
Balancing volumetric and gravimetric capacity for hydrogen in supramolecular crystals. Nature chemistry (2024)
Rebecca B Goncalves, Carlos Cuadrado Collados, Christos D Malliakas, Zhiwei Wang, Matthias Thommes, Randall Q Snurr, Joseph T Hupp
Chemically Reversible CO 2 Uptake by Dendrimer-Impregnated Metal-Organic Frameworks. Langmuir : the ACS journal of surfaces and colloids 40 (17) (2024)
Susanne Reischauer, Courtney S Smoljan, Jabor Rabeah, Haomiao Xie, Filip Formalik, Zhihengyu Chen, Simon M Vornholt, Fanrui Sha, Karena W Chapman, Randall Q Snurr, Justin M Notestein, Omar K Farha
A Titanium-Based Metal-Organic Framework For Tandem Metallaphotocatalysis. ACS applied materials & interfaces 16 (26) (2024)
Xiaoliang Wang, Maytham Alzayer, Arthur J Shih, Saptasree Bose, Haomiao Xie, Simon M Vornholt, Christos D Malliakas, Hussain Alhashem, Faramarz Joodaki, Sammer Marzouk, Grace Xiong, Mark Del Campo, Pierre Le Magueres, Filip Formalik, Debabrata Sengupta, Karam B Idrees, Kaikai Ma, Yongwei Chen, Kent O Kirlikovali, Timur Islamoglu, Karena W Chapman, Randall Q Snurr, Omar K Farha
Tailoring Hydrophobicity and Pore Environment in Physisorbents for Improved Carbon Dioxide Capture under High Humidity. Journal of the American Chemical Society (2024)
Milad Ahmadi Khoshooei, Xijun Wang, Gerardo Vitale, Filip Formalik, Kent O Kirlikovali, Randall Q Snurr, Pedro Pereira-Almao, Omar K Farha
An active, stable cubic molybdenum carbide catalyst for the high-temperature reverse water-gas shift reaction. Science (New York, N.Y.) 384 (6695) (2024)
Susanne Reischauer, Courtney S Smoljan, Jabor Rabeah, Haomiao Xie, Filip Formalik, Zhihengyu Chen, Simon M Vornholt, Fanrui Sha, Karena W Chapman, Randall Q Snurr, Justin M Notestein, Omar K Farha
A Titanium-Based Metal-Organic Framework For Tandem Metallaphotocatalysis. ACS applied materials & interfaces (2024)
Kaifei Chen, Seyed Hesam Mousavi, Zhi Yu, Lina Zhang, Qin-Fen Gu, Randall Q Snurr, Paul A Webley, Nannan Sun, Gang Kevin Li
Molecular Insight into the Electric Field Regulation of N 2 and CH 4 Adsorption in the Trapdoor ZSM-25 Zeolites. ACS applied materials & interfaces (2024)
Florencia A Son, Kaihang Shi, Randall Q Snurr, Omar K Farha
Measuring Mass Transfer of n -Hexane and 2-Chloroethyl Ethyl Sulfide in Sorbent/Polymer Fiber Composites Using a Volumetric Adsorption Apparatus. ACS applied materials & interfaces 16 (24) (2024)
Mohammad Rasel Mian, Xijun Wang, Xingjie Wang, Kent O Kirlikovali, Haomiao Xie, Kaikai Ma, Kira M Fahy, Haoyuan Chen, Timur Islamoglu, Randall Q Snurr, Omar K Farha
Structure-Activity Relationship Insights for Organophosphonate Hydrolysis at Ti(IV) Active Sites in Metal-Organic Frameworks. Journal of the American Chemical Society (2023)
Debabrata Sengupta, Patrick Melix, Saptasree Bose, Joshua Duncan, Xingjie Wang, Mohammad Rasel Mian, Kent O Kirlikovali, Faramarz Joodaki, Timur Islamoglu, Taner Yildirim, Randall Q Snurr, Omar K Farha
Air-Stable Cu(I) Metal-Organic Framework for Hydrogen Storage. Journal of the American Chemical Society (2023)
Zhao Li, Jake Turner, Randall Q Snurr
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores. Communications chemistry 6 (1) (2023)
Kaifei Chen, Zhi Yu, Seyed Hesam Mousavi, Ranjeet Singh, Qin-Fen Gu, Randall Q Snurr, Paul A Webley, Gang Kevin Li
Regulating adsorption performance of zeolites by pre-activation in electric fields. Nature communications 14 (1) (2023)
Courtney S Smoljan, Zhao Li, Haomiao Xie, Caitlin J Setter, Karam B Idrees, Florencia A Son, Filip Formalik, Saman Shafaie, Timur Islamoglu, Lauren K Macreadie, Randall Q Snurr, Omar K Farha
Engineering Metal-Organic Frameworks for Selective Separation of Hexane Isomers Using 3-Dimensional Linkers. Journal of the American Chemical Society (2023)
Zhao Li, Jake Turner, Randall Q Snurr
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores. Communications chemistry 6 (1) (2023)
Rui Wang, Kaihang Shi, Jian Liu, Randall Q Snurr, Joseph T Hupp
Water-Accelerated Transport: Vapor-Phase Nerve Agent Simulant Delivery within a Catalytic Zirconium Metal-Organic Framework as a Function of Relative Humidity. Journal of the American Chemical Society (2023)
Rui Wang, Brandon C Bukowski, Jiaxin Duan, Kun Zhang, Randall Q Snurr, Joseph T Hupp
Geometry and Chemistry: Influence of Pore Functionalization on Molecular Transport and Diffusion in Solvent-Filled Zirconium Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Kaihang Shi, Zhao Li, Dylan M Anstine, Dai Tang, Coray M Colina, David S Sholl, J Ilja Siepmann, Randall Q Snurr
Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials. Journal of chemical theory and computation (2023)
Thomas M Rayder, Filip Formalik, Simon M Vornholt, Hilliary Frank, Seryeong Lee, Maytham Alzayer, Zhihengyu Chen, Debabrata Sengupta, Timur Islamoglu, Francesco Paesani, Karena W Chapman, Randall Q Snurr, Omar K Farha
Unveiling Unexpected Modulator-CO 2 Dynamics within a Zirconium Metal-Organic Framework. Journal of the American Chemical Society (2023)
Srinivasu Kancharlapalli, Randall Q Snurr
High-Throughput Screening of the CoRE-MOF-2019 Database for CO 2 Capture from Wet Flue Gas: A Multi-Scale Modeling Strategy. ACS applied materials & interfaces (2023)
Edward J Maginn, Ioannis G Economou, Randall Q Snurr, Arup K Chakraborty
Tribute to Doros N. Theodorou. The journal of physical chemistry. B 127 (12) (2023)
Hieu A Doan, Xijun Wang, Randall Q Snurr
Computational Screening of Supported Metal Oxide Nanoclusters for Methane Activation: Insights into Homolytic versus Heterolytic C-H Bond Dissociation. The journal of physical chemistry letters (2023)
Zhao Li, Jake Turner, Randall Q Snurr
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores. Communications chemistry 6 (1) (2023)
Courtney S Smoljan, Zhao Li, Haomiao Xie, Caitlin J Setter, Karam B Idrees, Florencia A Son, Filip Formalik, Saman Shafaie, Timur Islamoglu, Lauren K Macreadie, Randall Q Snurr, Omar K Farha
Engineering Metal-Organic Frameworks for Selective Separation of Hexane Isomers Using 3-Dimensional Linkers. Journal of the American Chemical Society 145 (11) (2023)
Wei Gong, Yi Xie, Thang Duc Pham, Suchetha Shetty, Florencia A Son, Karam B Idrees, Zhijie Chen, Haomiao Xie, Yan Liu, Randall Q Snurr, Banglin Chen, Bassam Alameddine, Yong Cui, Omar K Farha
Creating Optimal Pockets in a Clathrochelate-Based Metal-Organic Framework for Gas Adsorption and Separation: Experimental and Computational Studies. Journal of the American Chemical Society 144 (8) (2022)
Karam B Idrees, Zhao Li, Haomiao Xie, Kent O Kirlikovali, Masoud Kazem-Rostami, Xingjie Wang, Xijun Wang, Tzu-Yi Tai, Timur Islamoglu, J Fraser Stoddart, Randall Q Snurr, Omar K Farha
Separation of Aromatic Hydrocarbons in Porous Materials. Journal of the American Chemical Society 144 (27) (2022)
Randall Q Snurr
Machine learning heat capacities. Nature materials 21 (12) (2022)
Kaifei Chen, Ranjeet Singh, Jining Guo, Yalou Guo, Ali Zavabeti, Qin-Fen Gu, Randall Q Snurr, Paul A Webley, Gang Kevin Li
Electrical Regulation of CO 2 Adsorption in the Metal-Organic Framework MIL-53. ACS applied materials & interfaces 14 (11) (2022)
Andrew S Rosen, Justin M Notestein, Randall Q Snurr
Exploring mechanistic routes for light alkane oxidation with an iron-triazolate metal-organic framework. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Megan C Wasson, Xingjie Wang, Patrick Melix, Selim Alayoglu, Andrew T Y Wolek, Ian Colliard, Florencia A Son, Haomiao Xie, Eric Weitz, Timur Islamoglu, May Nyman, Randall Q Snurr, Justin M Notestein, Omar K Farha
Interfacial Unit-Dependent Catalytic Activity for CO Oxidation over Cerium Oxysulfate Cluster Assemblies. ACS applied materials & interfaces (2022)
Brandon C Bukowski, Randall Q Snurr
Insights and Heuristics for Predicting Diffusion Rates of Chemical Warfare Agents in Zirconium Metal-Organic Frameworks. ACS applied materials & interfaces 14 (50) (2022)
Kaifei Chen, Seyed Hesam Mousavi, Ranjeet Singh, Randall Q Snurr, Gang Li, Paul A Webley
Gating effect for gas adsorption in microporous materials-mechanisms and applications. Chemical Society reviews 51 (3) (2022)
Mohammad Rasel Mian, Haoyuan Chen, Ran Cao, Kent O Kirlikovali, Randall Q Snurr, Timur Islamoglu, Omar K Farha
Insights into Catalytic Hydrolysis of Organophosphonates at M-OH Sites of Azolate-Based Metal Organic Frameworks. Journal of the American Chemical Society 143 (26) (2021)
Zhijie Chen, Mohammad Rasel Mian, Seung-Joon Lee, Haoyuan Chen, Xuan Zhang, Kent O Kirlikovali, Sarah Shulda, Patrick Melix, Andrew S Rosen, Philip A Parilla, Thomas Gennett, Randall Q Snurr, Timur Islamoglu, Taner Yildirim, Omar K Farha
Fine-Tuning a Robust Metal-Organic Framework toward Enhanced Clean Energy Gas Storage. Journal of the American Chemical Society 143 (45) (2021)
Cornelius O Audu, David Chen, Chung-Wei Kung, Randall Q Snurr, SonBinh T Nguyen, Omar K Farha, Joseph T Hupp
Transport Diffusion of Linear Alkanes (C5-C16) through Thin Films of ZIF-8 as Assessed by Quartz Crystal Microgravimetry. Langmuir : the ACS journal of surfaces and colloids 37 (31) (2021)
Jian Liu, Zhiyong Lu, Zhijie Chen, Martino Rimoldi, Ashlee J Howarth, Haoyuan Chen, Selim Alayoglu, Randall Q Snurr, Omar K Farha, Joseph T Hupp
Ammonia Capture within Zirconium Metal-Organic Frameworks: Reversible and Irreversible Uptake. ACS applied materials & interfaces 13 (17) (2021)
Yangzesheng Sun, Robert F DeJaco, Zhao Li, Dai Tang, Stephan Glante, David S Sholl, Coray M Colina, Randall Q Snurr, Matthias Thommes, Martin Hartmann, J Ilja Siepmann
Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning. Science advances 7 (30) (2021)
Jian Liu, Zhijie Chen, Rui Wang, Selim Alayoglu, Timur Islamoglu, Seung-Joon Lee, Thomas R Sheridan, Haoyuan Chen, Randall Q Snurr, Omar K Farha, Joseph T Hupp
Zirconium Metal-Organic Frameworks Integrating Chloride Ions for Ammonia Capture and/or Chemical Separation. ACS applied materials & interfaces 13 (19) (2021)
Conor H Sharp, Brandon C Bukowski, Hongyu Li, Eric M Johnson, Stefan Ilic, Amanda J Morris, Dilip Gersappe, Randall Q Snurr, John R Morris
Nanoconfinement and mass transport in metal-organic frameworks. Chemical Society reviews 50 (20) (2021)
Xiao-Yang Chen, Haoyuan Chen, Luka Ðorđević, Qing-Hui Guo, Huang Wu, Yu Wang, Long Zhang, Yang Jiao, Kang Cai, Hongliang Chen, Charlotte L Stern, Samuel I Stupp, Randall Q Snurr, Dengke Shen, J Fraser Stoddart
Selective Photodimerization in a Cyclodextrin Metal-Organic Framework. Journal of the American Chemical Society 143 (24) (2021)
Srinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, Randall Q Snurr
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic Frameworks. Journal of chemical theory and computation 17 (5) (2021)
Melissa Barona, Randall Q Snurr
Exploring the Tunability of Trimetallic MOF Nodes for Partial Oxidation of Methane to Methanol. ACS applied materials & interfaces 12 (25) (2020)
Alexander von Wedelstedt, Haoyuan Chen, Grit Kalies, Randall Q Snurr
Do Internal and External Surfaces of Metal-Organic Frameworks Have the Same Hydrophobicity? Insights from Molecular Simulations. Langmuir : the ACS journal of surfaces and colloids 36 (43) (2020)
Brandon C Bukowski, Randall Q Snurr
Topology-Dependent Alkane Diffusion in Zirconium Metal-Organic Frameworks. ACS applied materials & interfaces 12 (50) (2020)
Melissa Barona, Carlo Alberto Gaggioli, Soumen Ghosh, Randall Q Snurr
DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol. The journal of physical chemistry. A 124 (8) (2020)
Haoyuan Chen, Randall Q Snurr
Understanding the Loading Dependence of Adsorbate Diffusivities in Hierarchical Metal-Organic Frameworks. Langmuir : the ACS journal of surfaces and colloids 36 (5) (2020)
Qing-Hui Guo, Manping Jia, Zhichang Liu, Yunyan Qiu, Hongliang Chen, Dengke Shen, Xuan Zhang, Qing Tu, Matthew R Ryder, Haoyuan Chen, Peng Li, Yaobin Xu, Penghao Li, Zhijie Chen, Gajendra S Shekhawat, Vinayak P Dravid, Randall Q Snurr, Douglas Philp, Andrew C-H Sue, Omar K Farha, Marco Rolandi, J Fraser Stoddart
Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization. Journal of the American Chemical Society 142 (13) (2020)
Yongwei Chen, Xuan Zhang, Haoyuan Chen, Riki J Drout, Zhijie Chen, Mohammad Rasel Mian, Rodrigo R Maldonado, Kaikai Ma, Xingjie Wang, Qibin Xia, Zhong Li, Timur Islamoglu, Randall Q Snurr, Omar K Farha
Tuning the Atrazine Binding Sites in an Indium-Based Flexible Metal-Organic Framework. ACS applied materials & interfaces 12 (40) (2020)
Riki J Drout, Satoshi Kato, Haoyuan Chen, Florencia A Son, Ken-Ichi Otake, Timur Islamoglu, Randall Q Snurr, Omar K Farha
Isothermal Titration Calorimetry to Explore the Parameter Space of Organophosphorus Agrochemical Adsorption in MOFs. Journal of the American Chemical Society 142 (28) (2020)
Matthew L Mendonca, Debmalya Ray, Christopher J Cramer, Randall Q Snurr
Exploring the Effects of Node Topology, Connectivity, and Metal Identity on the Binding of Nerve Agents and Their Hydrolysis Products in Metal-Organic Frameworks. ACS applied materials & interfaces 12 (31) (2020)
Rui Wang, Brandon C Bukowski, Jiaxin Duan, Thomas R Sheridan, Ahmet Atilgan, Kun Zhang, Randall Q Snurr, Joseph T Hupp
Investigating the Process and Mechanism of Molecular Transport within a Representative Solvent-Filled Metal-Organic Framework. Langmuir : the ACS journal of surfaces and colloids 36 (36) (2020)
Andrew S Rosen, M Rasel Mian, Timur Islamoglu, Haoyuan Chen, Omar K Farha, Justin M Notestein, Randall Q Snurr
Tuning the Redox Activity of Metal-Organic Frameworks for Enhanced, Selective O2 Binding: Design Rules and Ambient Temperature O2 Chemisorption in a Cobalt-Triazolate Framework. Journal of the American Chemical Society 142 (9) (2020)
Haoyuan Chen, Randall Q Snurr
Insights into Catalytic Gas-Phase Hydrolysis of Organophosphate Chemical Warfare Agents by MOF-Supported Bimetallic Metal-Oxo Clusters. ACS applied materials & interfaces 12 (13) (2020)
Andrew S Rosen, Justin M Notestein, Randall Q Snurr
High-Valent Metal-Oxo Species at the Nodes of Metal-Triazolate Frameworks: The Effects of Ligand Exchange and Two-State Reactivity for C-H Bond Activation. Angewandte Chemie (International ed. in English) 59 (44) (2020)
Jongyoon Bae, Izabela A Samek, Peter C Stair, Randall Q Snurr
Investigation of the Hydrophobic Nature of Metal Oxide Surfaces Created by Atomic Layer Deposition. Langmuir : the ACS journal of surfaces and colloids 35 (17) (2019)
Andrew S Rosen, Justin M Notestein, Randall Q Snurr
Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory. Journal of computational chemistry 40 (12) (2019)
Satoshi Kato, Ken-Ichi Otake, Haoyuan Chen, Isil Akpinar, Cassandra T Buru, Timur Islamoglu, Randall Q Snurr, Omar K Farha
Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin. Journal of the American Chemical Society 141 (6) (2019)
Matthew L Mendonca, Randall Q Snurr
Screening for Improved Nerve Agent Simulants and Insights into Organophosphate Hydrolysis Reactions from DFT and QSAR Modeling. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (39) (2019)
Fenfen Wang, Zhijie Chen, Haoyuan Chen, Timothy A Goetjen, Peng Li, Xingjie Wang, Selim Alayoglu, Kaikai Ma, Yongwei Chen, Tiejun Wang, Timur Islamoglu, Yanxiong Fang, Randall Q Snurr, Omar K Farha
Interplay of Lewis and Brønsted Acid Sites in Zr-Based Metal-Organic Frameworks for Efficient Esterification of Biomass-Derived Levulinic Acid. ACS applied materials & interfaces 11 (35) (2019)
Hasmukh A Patel, John Selberg, Dhafer Salah, Haoyuan Chen, Yijun Liao, Siva Krishna Mohan Nalluri, Omar K Farha, Randall Q Snurr, Marco Rolandi, J Fraser Stoddart
Proton Conduction in Tröger's Base-Linked Poly(crown ether)s. ACS applied materials & interfaces 10 (30) (2018)
Paul J Meza-Morales, Diego A Gómez-Gualdrón, Rodinson R Arrieta-Perez, Arturo J Hernandez-Maldonado, Randall Q Snurr, María C Curet-Arana
CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments. Dalton transactions (Cambridge, England : 2003) 45 (43) (2018)
Seungtaik Hwang, Arun Gopalan, Maximilian Hovestadt, Frank Piepenbreier, Christian Chmelik, Martin Hartmann, Randall Q Snurr, Jörg Kärger
Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks. Molecules (Basel, Switzerland) 23 (3) (2018)
Song Li, Yongchul G Chung, Cory M Simon, Randall Q Snurr
High-Throughput Computational Screening of Multivariate Metal-Organic Frameworks (MTV-MOFs) for CO2 Capture. The journal of physical chemistry letters 8 (24) (2017)
Diego A Gómez-Gualdrón, Timothy C Wang, Paula García-Holley, Ruth M Sawelewa, Edwin Argueta, Randall Q Snurr, Joseph T Hupp, Taner Yildirim, Omar K Farha
Understanding Volumetric and Gravimetric Hydrogen Adsorption Trade-off in Metal-Organic Frameworks. ACS applied materials & interfaces 9 (39) (2017)
Peyman Z Moghadam, Joshua F Ivy, Ravi K Arvapally, Antonio M Dos Santos, John C Pearson, Li Zhang, Emmanouil Tylianakis, Pritha Ghosh, Iain W H Oswald, Ushasree Kaipa, Xiaoping Wang, Angela K Wilson, Randall Q Snurr, Mohammad A Omary
Adsorption and molecular siting of CO2, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation. Chemical science 8 (5) (2017)
Edwin Argueta, Jeena Shaji, Arun Gopalan, Peilin Liao, Randall Q Snurr, Diego A Gómez-Gualdrón
Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal-Organic Frameworks for Adsorption Applications. Journal of chemical theory and computation 14 (1) (2017)
Peilin Liao, Rachel B Getman, Randall Q Snurr
Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study. ACS applied materials & interfaces 9 (39) (2017)
Yongchul G Chung, Diego A Gómez-Gualdrón, Peng Li, Karson T Leperi, Pravas Deria, Hongda Zhang, Nicolaas A Vermeulen, J Fraser Stoddart, Fengqi You, Joseph T Hupp, Omar K Farha, Randall Q Snurr
In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm. Science advances 2 (10) (2016)