Publication in Sholl group (Jul 2023):JY Chng and David Sholl published a paper titledQuantitative Simulations of Siloxane Adsorption in Metal–Organic Frameworks in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Jul 2023):Zhenzi Yu, Shubham Jamdade, Xiaohan Yu, Xuqing Cai and David Sholl published a paper titledEfficient Generation of Large Collections of Metal–Organic Framework Structures Containing Well-Defined Point Defects in JPCL.
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New Ph.Ds in Sholl group (Jun 2023):Ifayoyinsola Ibikunle and Zhenzi Yu successfully defended their Ph.D. dissertation. Congratulations, Dr. Ibikunle and Dr. Yu! .
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Patent in Sholl group (Mar 2023):David Sholl and Hanjun Fang filed a patent with ExxonMobil titled Adsorbent materials and methods of adsorbing carbon dioxide.
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Publication in Sholl group (Mar 2023):Yutao Gong, Xuqing Cai, Wenqin You, Ryan Lively, Krista Walton and David Sholl published a paper titledSelective Uptake of Ethane/Ethylene Mixtures by UTSA-280 is Driven by Reversibly Coordinated Water Defects in Chem Mater.
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Publication in Sholl group (Feb 2023):Dai Tang, David Sholl and Randall Snurr published a paper titledTwo-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials in JCTC.
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Publication in Sholl group (Jan 2023):Shubham Jamdade, Hanjun Fang, Salah Eddine Boulfelfel and David Sholl published a paper titledIdentifying High-Performance Metal–Organic Frameworks for Low-Temperature Oxygen Recovery from Helium by Computational Screening in IECR.
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Publication in Sholl group (Jan 2023):Jifeng Sun, Farhad Gharagheizi, Hanjun Fang and David Sholl published a paper titledDevelopment of Porous Crystalline Materials for Selective Binding of O2 from Air in JPCC.
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Publication in Sholl group (Dec 2022):Zhenzi Yu, Kai Cui, J. R. Schmidt, David Sholl, and Ryan Lively published a paper titledAssessment of Acid Gas Adsorption Selectivities in MIL-125-NH2 in JPCC.
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Sholl Group Presented in Conference (Nov 2022):Xiaohan Yu, Dr. Raghu Thyagarajan, Zhenzi Yu, Shubham Jamdade and Chao-Wen Chang gave research talks at AICHE in Phoenix, AZ.
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Publication in Sholl group (Nov 2022):Ifayoyinsola Ibikunle, Yuhan Yang and David Sholl published a paper titled Trends in Siting of Metals in Heterometallic Nd–Yb Metal–Organic Frameworks and Molecular Crystals in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Nov 2022):Yuhan Yang, Ifayoyinsola Ibikunle and David Sholl published a paper titled Adapting UFF4MOF for Heterometallic Rare-Earth Metal–Organic Frameworks in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Sep 2022):Farhad Gharagheizi, Zhenzi Yu and David Sholl published a paper titled Curated Collection of More than 20,000 Experimentally Reported One-Dimensional Metal–Organic Frameworks in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Sep 2022):Dai Tang, Jifeng Sun and David Sholl published a paper titled Metal - Organic Framework Integrating Ionic Framework and Bimetallic Coupling Effect for Highly Efficient Oxygen Evolution Reaction in Advance Science..
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Publication in Sholl group (Aug 2022):Xuqing Cai and David Sholl published a paper titled Point Defects Control Guest Molecule Diffusion in the 1D Pores of Zn(tbip) in The Journal of Physical Chemistry C..
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Publication in Sholl group (Jul 2022):David Sholl published a paper titled Kinetic Model of Acid Gas Induced Defect Propagation in Zeolitic Imidazolate Frameworks in The Journal of Physical Chemistry Letters..
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New Ph.D. in Sholl group (Jun 2022):Yuhan Yang successfully defended her Ph.D. dissertation. Congratulations, Dr. Yang!.
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Publication in Sholl group (Jun 2022):Raghu Thyagarajan and David Sholl published a paper titled How Reproducible are Surface Areas Calculated from the BET Equation? in Adv. Mater..
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Publication in Sholl group (Jun 2022):Sihoon Choi, David Sholl and Andrew Medford published a paper titled Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal–organic frameworks in Chem. Phys..
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Publication in Sholl group (Jun 2022):Jongwoo Park, David Sholl, Matthew Realff and Krista Walton published a paper titled Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation in Sep. Purif. Technol..
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Publication in Sholl group (Jun 2022):Zhenzi Yu, David Sholl and Krista Walton published a paper titled Effect of Loading on the Water Stability of the Metal–Organic Framework DMOF-1 [Zn(bdc)(dabco)0.5] in JPCL.
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Publication in Sholl group (Jun 2022):Raghu Thyagarajan and David Sholl published a paper titled Molecular Simulations of CH4 and CO2 Diffusion in Rigid Nanoporous Amorphous Materials in JPCC.
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Publication in Sholl group (Feb 2022):Raghu Thyagarajan, a Post-doc researcher in Sholl group, won 1st place in Oral Presentations at 2022 Graduate Research Symposium.
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Publication in Sholl group (Feb 2022):Chao-Wen Chang, Zhenzi Yu, David Sholl and Ryan Lively published a paper titled Accelerating Solvent Selection for Type II Porous Liquids in JACS.
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Publication in Sholl group (Jan 2022):David Sholl and Ryan Lively published a paper titled Exemplar Mixtures for Studying Complex Mixture Effects in Practical Chemical Separations in JACS Au.
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Publication in Sholl group (Jan 2022):Omar Knio, David Sholl, Christopher Jones and Sankar Nair published a paper titled Single-walled zeolitic nanotubes in Science.
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Publication in Sholl group (Jan 2022):Yuhan Yang and David Sholl published a paper titled A systematic examination of the impacts of MOF flexibility on intracrystalline molecular diffusivities in JMCA.
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Publication in Sholl group (Dec 2021):Zhenzi Yu, Salah Boulfelfel and David Sholl published a paper titled Incorporating Flexibility Effects into Metal–Organic Framework Adsorption Simulations Using Different Models in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Dec 2021):Farhad Gharagheizi and David Sholl published a paper titled Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials in IECR.
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Publication in Sholl group (Nov 2021):Salah Boulfelfel, John Findley, Hanjun Fang, Alan Daou and David Sholl published a paper titled A Transferable Force Field for Predicting Adsorption and Diffusion of Small Molecules in Alkali Metal Exchanged Zeolites with Coupled Cluster Accuracy in JPCC.
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Publication in Sholl group (Oct 2021):John Findley and David Sholl published a paper titled Computational Screening of MOFs and Zeolites for Direct Air Capture of Carbon Dioxide under Humid Conditions in JPCC.
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Publication in Sholl group (Oct 2021):Arvind Ganesan, Zhenzi Yu, Souryadeep Bhattacharyya, David Sholl and Sankar Nair published a paper titled Controlled Demolition and Reconstruction of Imidazolate and Carboxylate Metal–Organic Frameworks by Acid Gas Exposure and Linker Treatment in I&EC.
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Publication in Sholl group (Oct 2021):Chenkai Gu and David Sholl published a paper titled High-Throughput Screening of Anion-Pillared Metal–Organic Frameworks for the Separation of Light Hydrocarbons in JPCC.
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2nd Year Ph.D. Students completed Ph.D. Proposals (Sep 2020):Xuqing, Chao-wen, Alan and Shubham completed their Ph.D. proposals.
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Publication in Sholl group (Aug 2021):Xiaohan Yu, Sihoon Choi, a collaborative student from Dr. Medford's group, Dai Tang and David Sholl published an article titled Efficient Models for Predicting Temperature-Dependent Henry’s Constants and Adsorption Selectivities for Diverse Collections of Molecules in Metal–Organic Frameworks in JPCC.
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Publication in Sholl group (Jul 2021):Dai Tang and David Sholl published an article titled Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning in Science Advances.
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Publication in Sholl group (May 2021):Zhenzi Yu and David Sholl published an article titled Interpretable Machine Learning-Based Predictions of Methane Uptake Isotherms in Metal–Organic Frameworks in Chemistry of Materials.
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Publication in Sholl group (May 2021):Dai Tang and David Sholl published an article titled Adsorption space for microporous polymers with diverse adsorbate species in npj Computational Materials.
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Publication in Sholl group (Apr 2021):John Findley, Salah Boulfelfel, Hanjun Fang and David Sholl published an article titled A Transferable Force Field for Predicting Adsorption and Diffusion of Hydrocarbons and Small Molecules in Silica Zeolites with Coupled-Cluster Accuracy in JPCC.
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Publication in Sholl group (Mar 2021):Raghu Thyagarajan and David Sholl published an article titled How Reproducible Are Surface Areas Calculated from the BET Equation? in ChemRxiv.
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Publication in Sholl group (Mar 2021):Alan Daou, John Findley, Hanjun Fang, Salah Boulfelfel and David Sholl published an article titled Quantifying Impact of Intrinsic Flexibility on Molecular Adsorption in Zeolites in JPCC.
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Publication in Sholl group (Mar 2021):Chenkai Gu, Zhenzi Yu and David Sholl published an article titled Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Jan 2021):Dai Tang, Farhad Gharagheizi and David Sholl published an article titled Adsorption-Based Separation of Near-Azeotropic Mixtures—A Challenging Example for High-Throughput Development of Adsorbents in JPCB.
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Publication in Sholl group (Jan 2021):Jongwoo Park and David Sholl published an article titled Analysis of Energetics and Economics of Sub-ambient Hybrid Post-Combustion CO2 Capture in Authorea Preprints.
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Publication in Sholl group (Jan 2021):Muhammad Shahzad Yaseen, Jifeng Sun, Hanjun Fang and David Sholl published an article titled First-principles study of electronic and optical properties of ternary compounds AuBX2 (X = S, Se, Te) and AuMTe2 (M = Al, In, Ga) in Solid State Sciences.
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Publication in Sholl group (Jan 2021):Xuqing Cai, Farhad Gharagheizi and David Sholl published an article titled A Collection of More than 900 Gas Mixture Adsorption Experiments in Porous Materials from Literature Meta-Analysis in I&EC.
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Publication in Sholl group (Dec 2020):Jifeng Sun, Hanjun Fang and David Sholl published an article titled Spin-Crossover Effects in Reversible O2 Binding on a Dinuclear Cobalt(II) Complex in JPCC.
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2nd Year Ph.D. Students completed Ph.D. Proposals (Sep 2020):Arvind, Zhenzi and Yuhan completed their Ph.D. proposals.
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Publication in Sholl group (Sep 2020):Lukas W. Bingel, Andrew Chen, Mayank Agrawal and David Sholl published an article titled Experimentally Verified Alcohol Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis in J. Chem. Eng. Data.
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Publication in Sholl group (Aug 2020):Raghu Thyagarajan and David Sholl published an article titled A Database of Porous Rigid Amorphous Materials in Chem. Mater..
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1st Year Ph.D. Students Completed Ph.D. Qualifying Exam (Jan 2020): Alan, Ph.D. student in Sholl group, had successfully passed the Ph.D. qualifying exam.
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Publication in Sholl group (Aug 2020):Chu Han, Yuhan Yang and David Sholl published an article titled Quantitatively Predicting Impact of Structural Flexibility on Molecular Diffusion in Small Pore Metal-Organic Frameworks – A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs in JPCC.
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New Ph.D. from Sholl group (Jul 2020): John Findley, Ph.D. candidates in Sholl group became new Ph.D. at Georgia Tech ChBE.
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Publication in Sholl group (Jul 2020):Omar Knio, Hanjun Fang, Salah Eddine Boulfelfel and David Sholl published an article titled Molecular Dynamics Investigation of Surface Resistances in Zeolite Nanosheets in JPCC.
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Publication in Sholl group (Jul 2020):Anny Liu and David Sholl published an article titled Tuning the Wettability of Metal-Organic Frameworks via Defect Engineering for Efficient Oil/Water Separation in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (May 2020):Wenqin You and David Sholl published an article titled Using Site Heterogeneity in Metal-Organic Frameworks with Bimetallic Open Metal Sites for Olefin/Paraffin Separations in Applied Nano Materials.
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New Ph.D.'s from Sholl group (May 2020): Wenqin You and Omar Knio, Ph.D. candidates in Sholl group became new Ph.D.'s at Georgia Tech ChBE.
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Publication in Sholl group (Apr 2020):Wenqin You and David Sholl published an article titled Tuning the Structures of Metal–Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation in Chemistry of Materials.
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Publication in Sholl group (Mar 2020):David Sholl published an article titled Watching Water, Sodium, and Chloride Passing through a Graphitic Pore in Matter.
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Publication in Sholl group (Mar 2020):Jongwoo Park, Mayank Agrawal and David Sholl published an article titled Impact of Intrinsic Framework Flexibility for Selective Adsorption of Sarin in Non-Aqueous Solvents using Metal-Organic Frameworks in PCCP.
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Publication in Sholl group (Feb 2020):Farhad Gharagheizi, Dai Tang and David Sholl published an article titled Selecting Adsorbents to Separate Diverse Near-Azeotropic Chemicals in JPCC.
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1st Year Ph.D. Students Completed Ph.D. Qualifying Exam (Jan 2020): Xiaohan, Xuqing, Chao-wen and Shubham, Ph.D. students in Sholl group, had successfully passed the Ph.D. qualifying exam.
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Publication in Sholl group (Jan 2020):Hanjun Fang, John Findley and David Sholl published an article titled A Strong Test of Atomically Detailed Models of Molecular Adsorption in Zeolites Using Multilaboratory Experimental Data for CO2 Adsorption in Ammonium ZSM-5 in JPCL.
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Publication in Sholl group (Jan 2020):Jongwoo Park and David Sholl published an article titled How Well Do Approximate Models of Adsorption-based CO2 Capture Processes Predict Results of Detailed Process Models? in I&EC.
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Publication in Sholl group (Jan 2020):Mayank Agrawal, Rebecca Han and David Sholl published an article titled Does repeat synthesis in materials chemistry obey a power law? in PNAS.
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Publication in Sholl group (Dec 2019):Jifeng Sun, Hanjun Fang and David Sholl published an article titled Understanding Dealumination Mechanisms in Protonic and Cationic Zeolites in JPCC.
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Publication in Sholl group (Dec 2019):Jongwoo Park and David Sholl published an article titled Hierarchical Bayesian Estimation for Adsorption Isotherm Parameter Determination in CES/i>.
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New Ph.D.'s from Sholl group (Dec 2019): Mayank and Jongwoo, Ph.D. candidates in Sholl group became new Ph.D.'s at Georgia Tech ChBE.
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Publication in Sholl group (Dec 2019):Souryadeep Bhattacharyya and David Sholl published an article titled Quantitative Correlations for the Durability of Zeolitic Imidazolate Frameworks in Humid SO2 in I&EC.
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Publication in Sholl group (Nov 2019):David Sholl published an article titled Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal Organic Framework Database: CoRE MOF 2019 in Journal of Chemical & Engineering Data.
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Publication in Sholl group (Oct 2019):Mayank Agrawal, Salah Eddine Boulfelfel and David Sholl published an article titled Determining Diffusion Coefficients of Chemical Warfare Agents in Metal-Organic Frameworks in J. Phys. Chem. Lett..
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Welcome to new students to Sholl group (Oct 2019): Welcome to three five members who are joining Sholl group in 2019. Xiaohan Yu, Chao-Wen Chang, Shuhbam K Jamdade, Chenkai Gu and Haozhi Wang.
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Publication in Sholl group (Sept 2019): Krishna C. Jayachandrababu, Rebecca Han, Souryadeep Bhattacharyya and David Sholl published an article titled Synthesizing New Hybrid Zeolitic Imidazolate Frameworks by Controlled Demolition and Reconstruction in ACS Materials Lett.
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Publication in Sholl group (Jul 2019): Mayank Agrawal and David Sholl published an article titled Effect of intrinsic flexibility on adsorption properties of metal-organic frameworks at dilute and non-dilute loadings in ACS Appl. Mater. Interfaces.
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Publication in Sholl group (Jul 2019): Alex Hyla, a former post-doctoral fellow in Sholl group, Hanjun Fang, Salah Boulfelfel and David Sholl published an article titled Significant Temperature Dependence of the Isosteric Heats of Adsorption of Gases in Zeolites Demonstrated by Experiments and Molecular Simulations in JPCC.
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Publication in Sholl group (Jul 2019): Dai Tang and David Sholl published an article titled Rapid Prediction of Adsorption Isotherms of a Diverse Range of Molecules in Hyper-Crosslinked Polymers in JPCC.
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Publication in Sholl group (June 2019): Jungseob So and David Sholl published an article titled
In-situ ATR-IR study of surface reaction during aqueous phase reforming of glycerol, sorbitol and glucose over Pt/Al2O3 in
Molecular Catalysis.
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1st Year Ph.D. Students Completed Ph.D. Qualifying Exam (May 2019): Yuhan Yang and Zhenzi Yu, both Ph.D. students in Sholl group, had successfully passed the Ph.D. qualifying exam.
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Publication in Sholl group (May 2019): Ross Verploegh, Ryan P. Lively and David S. Sholl published an article titled Sorption and Transport of Vapors in ZIF-11: Adsorption, Diffusion, and Linker Flexibility in JPCC.
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Publication in Sholl group (Mar 2019): Rebecca Han, Krista S. Walton and David S. Sholl published an article titled Does Chemical Engineering Research Have a Reproducibility Problem? in Annual Reviews.
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Publication in Sholl group (Mar 2019): Ross Verploegh, Salah Boulfelfel and David S. Sholl published an article titled Screening Diffusion of Small Molecules in Flexible Zeolitic Imidazolate Frameworks Using a DFT Parameterized Force Field in JPCC.
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Publication in Sholl group (Mar 2019): Rebecca Han, and David S. Sholl published an article titled Propagation of Degradation-Induced Defects in Zeolitic Imidazolate Frameworks in JPCC.
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Award in Sholl group (Feb 2019): Omar Knio won 2nd place in Poster Presentations at 2019 Graduate Research Symposium.
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Publication in Sholl group (Jan 2019): Hongjian Tang, Hanjun Fang, and David S. Sholl published an article titled Predictions of Hg0 and HgCl2 Adsorption Properties in UiO-66 from Flue Gas Using Molecular Simulations in JPCC.
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Publication in Sholl group (Jan 2019): Souryadeep Bhattacharyya, Rebecca Han, and David Sholl along with other Georgia Tech researchers published an article titled Stability of Zeolitic Imidazolate Frameworks in NO2 in JPCC.
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Publications in Sholl group (Dec 2018): Lalit Darunte published an article titled Moving Beyond Adsorption Capacity in Design of Adsorbents for CO2 Capture from Ultradilute Feeds: Kinetics of CO2 Adsorption in Materials with Stepped Isotherms in I&EC Research. Omar Knio published a paper titled A Database of Computation-Ready 2D Zeolitic Slabs in Chemistry of Materials. Yang (Anny) and Wenqin published an article titled In silico Prediction of Structural Properties of a Racemic Porous Organic Cage Crystal in JPCC.
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New Ph.D.'s from Sholl group (Dec 2018): Yang (Anny) and Chu, Ph.D. candidates in Sholl group, and Souryadeep, a Ph.D. candidate co-advised by Drs. Sholl and Nair, became new Ph.D.'s at Georgia Tech ChBE.
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Lectures and Activities by Dr. Sholl (Dec 2018): Dr. David Sholl gave a seminar in the Department of Chemical Engineering at Oklahoma State University in Stillwater, Oklahoma. In 2018, he visited 23 academic chemical engineering departments promoting ChBE's accomplishments
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Lectures and Activities by Dr. Sholl (Nov 2018): Dr. David Sholl visited the Department of Chemical Engineering at Imperial College in London and the Department of Chemical Engineering and Biotechnology at the University of Cambridge.
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Publication in Sholl group (Nov 2018): Wenqin You, Yang Liu, Joshua D. Howe, Dai Tang, and David S. Sholl published an article titled Tuning Binding Tendencies of Small Molecules in Metal-Organic Frameworks with Open Metal Sites by Metal Substitution and Linker Functionalization in JPCC.
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Welcome to new students to Sholl group (Nov 2018): Welcome to five new members who are joining Sholl group in 2018. Zhenzi Yu, Yuhan Yang, Arvind Ganesan, Alan Daou, and Xuqing Cai.
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Publication in Sholl group (Oct 2018): Mayank Agrawal published an article titled How Useful Are Common Simulants of Chemical Warfare Agents at Predicting Adsorption Behavior? in JPCC.
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Dr. Sholl became the Board of Directors of AIChE (Oct 2018): Professor David Sholl has been elected to serve on the Board of Directors of AIChE
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Dr. Sholl became the conference chair (Oct 2018): Professor David Sholl has been selected as the Chair of the inaugural Gordon Research Conference on Chemical Separations,
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Dr. Sholl's activity (Oct 2018): Professor David Sholl took a group of faculty from Georgia Tech to the Oak Ridge National Laboratory for a day of discussions related to future research partnerships
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Invited talks and seminars by Dr. Sholl (Oct 2018): Professor David Sholl was an invited speaker at the Frontiers of Molecular Engineering meeting hosted by the University of Chicago and the Royal Society of Chemistry.
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Welcome to Muhammad (Sep 2018): Sholl group welcomes Muhammad Shahzad Yaseen who is a PhD student in Condensed Matter Physics from GC University, Lahore, Pakistan.
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Dr. Sholl delivered Parr Lecture (Sep 2018): Dr. Sholl gave the Samuel W. Parr Lecture at the University of Illinois in Champaign, Illinois. His talk was entitled "Expanding the chemical palette for reliable adsorption-based separations."
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Welcome to Dr. Raghu Thyagarajan (Aug 2018): Sholl grouop welcomes Dr. Raghu Thyagarajan as a postdoctoral researcher. Raghu got his Ph.D. from U. Mass Amherst and most recently was a postdoc working with Prof. Ilja Siepmann at U. Minnesota.
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Invited presentation in Sholl group (Aug 2018): Yang (Anny) Liu gave invited presentation at the I&EC Graduate Student Awards Symposium during the ACS Meeting in Boston.
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Award in Sholl group (Aug 2018): Prof. David Sholl won the AIChE Institute Award for Excellence in Industrial Gases Technology for 2018. This award will officially be given at the AIChE Annual Meeting.
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Welcome to Dr. Jifeng Sun (Aug 2018): Sholl group welcomes Dr. Jifeng Sun as a new postdoc! Jifeng is going to work on one of ExxonMobil supported projects.
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Publication in Sholl group (Aug 2018): Xiaofei Jing and David Sholl published an article titled Molecular Simulation of Capture of Sulfur-Containing Gases by Porous Aromatic Frameworks in JPCC.
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Publication in Sholl group (Jul 2018): Chu Han, Ross Verploegh, and David Sholl published an article titled Assessing the impact of point defects on molecular diffusion in ZIF-8 using molecular simulations in JPCL.
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Dr. Sholl has been reappointed as School Chair of ChBE (Jun 2018): Professor David Sholl has been reappointed for a second five-year term as School Chair of ChBE by Dean Steve McLaughlin and the College of Engineering.
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Dr. Sholl is featured in a CoE Cares Spotlight (Jun 2018): Professor David Sholl is featured in a CoE Cares Spotlight discussing his new novel Polyphony. Amazon describes it as
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Publication in Sholl group (May 2018): Souryadeep Bhattacharyya, Rebecca Han, Krishna C. Jayachandrababu, David S. Sholl, and more Georgia Tech researchers published an article titled Acid Gas Stability of Zeolitic Imidazolate Frameworks: Generalized Kinetic and Thermodynamic Characteristics in Chemistry of Materials.
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Publication in Sholl group (May 2018): Hanjun Fang, Rohan Awati, Salah Boulfelfel, and David S. Sholl published an article titled First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites in JPCC.
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Publication in Sholl group (May 2018): John Findley and David Sholl published an article titled The Effect of Aluminum Short-Range Ordering on Carbon Dioxide Adsorption in Zeolites in JPCC.
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New Ph.D.'s in Sholl group (May 2018): Lalit Darunte and Jungseob So became new Ph.D.'s at Georgia Tech! Contratulations Lalit and Jungseob!
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Pi Mile Road Race in Sholl group (Apr 2018): Many ChBE grad students and faculty participated in the Georgia Tech Pi Mile. Dr. Sholl was one of the five fastest faculty members!
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Publication in Sholl group (Apr 2018): Dai Tang, Ying Wu, Ross Verploegh, and David Sholl published an article titled Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules in ChemSusChem.
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Award in Sholl group (Apr 2018): Lori Federico, assistant to school chair prof. Sholl, received a Certificate of Recognition and Award ($1,000) for her service to the Georgia Tech Chapter of Singma Xi- The Scientific Research Honor Society.
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Publication in Sholl group (Apr 2018): Wenqin You, Yang Liu, Joshua Howe, and David Sholl published an article titled Competitive Binding of Ethylene, Water, and Carbon Monoxide in Metal-Organic Framewok Materials with Open Cu Sites in JPCC
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Award in Sholl group (Mar 2018): Souryadeep Bhattacharyya, a Ph.D. candidate in Sholl group, is winner of the International Student Leadership Award,
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Publication in Sholl group (Mar 2018): Ross Verploegh, Ying Wu, Salah Boulfelfel, and David Sholl published an article titled Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations in JPCC.
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Award in Sholl group (Mar 2018): Souryadeep Battacharyya, a Ph.D. candidate in Sholl group co-advised by Dr. Nair, was selected as the 2nd place winner of the 30th Graduate Research Symposium for his poster presentation.
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Publication in Sholl group (Mar 2018): Chu Han, a Ph.D. candidate in Sholl group, published an article titled Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations in JPCC.
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New Research led by Dr. Sholl (Mar 2018): Dr. Sholl joined the first meeting of a new NAS Study Committee on the "Future of Separations Research"
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Seminar and Lecture by Dr. Sholl (Feb 2018): Dr. Sholl gave a seminar to the Materials Genome Initiative Group at the NIST. He also gave a plenary lecture at the DOE BES Separations PIs' Meeting in Washington D.C.
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Editorial article by Dr. Sholl (Feb 2018): Dr. Sholl wrote an editorial article in Langmuir titled "Writing Theory and Modeling Papers For Langmuir - The Good, The Bad and The Ugly". The editorial covers
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1st Year Ph.D. Student Completed Ph.D. Qualifying Exam (Jan 2018): Andrew Chen, a Ph.D. student in Sholl group, had successfully passed the Ph.D. qualifying exam.
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Research feature in Sholl group (Jan 2018): Recent work by Jongwoo Park, Joshua Howe and David Sholl on reproducibility in materials chemistry has been covered in news stories in Chemistry World and Chemical & Engineering News.
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Invited talk by Dr. Sholl (Jan 2018): Prof. David Sholl gave an invited talk at a workshop titled "New Vistas In Molecular Thermodynamics," sponsored by the Humboldt Foundation at UC-Berkeley.
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Welcome to Dr. Anh Pham (Jan 2018): Sholl group welcomes Dr. Anh Pham as a new postdoctoral fellow. Anh will be working on a modeling zeolites.
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GT press release (Dec 2017): A recent research in Sholl group was developed as a press release via Georgia Tech News Center. The research news was titled One in Five Materials Chemistry Papers May be Wrong, Study Suggests based on the publication in Chemistry of Materials entitled How Reproducible Are Isotherm Measurements in Metal-Organic Frameworks? by Jongwoo Park, Joshua D. Howe, and David S. Sholl.
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Publication in Sholl group (Dec 2017): Mayank Agrawal, Souryadeep Bhattacharyya, Ph.D. candidates in Sholl group, and Krishna Jayachandrababu, a post doctoral fellow in Sholl group, published an article in JPCC as co-first authors titled Liquid Phase Multicomponent Adsorption and Separation of Xylene Mixtures
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Alumni news in Sholl group (Dec 2017): Dr. Jeong Woo Han, a Ph.D. graduate alumni in Sholl group, becomes an associate professor at POSTECH in Korea as of Feb. in 2018.
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Presentation by Dr. Sholl (Dec 2017): Dr. Sholl made a presentation to the National Academies Committee on "Reproducibility and Replicability in Science" at the NAS Headquarters in Washington D.C.
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Publication in Sholl group (Dec 2017): Anny Liu, a Ph.D. candidate in Sholl group, published an article in Chemistry of Materials as a co-first author titled Formation Mechanisms and Defect Engineering of Imine-based Porous Organic Cages
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Welcome to Andrew (Nov 2017): Sholl group welcomes Andrew Chen, a first year ChBE PhD student, for joining our group.
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Welcome to Farhad (Nov 2017): Dr. Farhad Gharagheizi joined the Sholl research group as a postdoctoral fellow after completing his first postdoc at Texas Tech University.
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Publication in Sholl group (Nov 2017): Dr. Walton and Dr. Sholl published a commentary article in Joule entitled as Research Challenges in Avoiding "Showstoppers" in Developing Materials for Large-Sacle Energy Applications.
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Welcome to Hongjian (Oct 2017): Hongjian Tang, a Ph.D. candidate in the School of Energy and Environment at Southeast University in Nanjing, Jiangsu Province, China, will be working in the Sholl Group as a visiting scholar until October 2018.
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Publication in Sholl group (Sep 2017): Krishna Jayachandrababu, Souryadeep Bhattacharyya, Yadong Chiang, David Sholl, and Sankar Nair published a new paper in ACS Applied Materials & Interfaces titled
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Krishna won Ziegler Award (Sep 2017): Krishna Jayachandrababu, a graduated Ph.D. (2017) in Nair group and co-advised by Dr. Sholl, won the ChBE Ziegler Award for the best paper (2017) for his paper titled
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Welcome to Dr. Li Jian (Sep 2017): Sholl group welcomes Dr. Li Jian to the group as a visiting scholar. Dr. Jian is an Associate Professor in the School of Materials Science and Engineering in Xian Shiyou University,
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Josh won "Team Science" Award in EFRC PI meeting (Jul 2017): Joshua Howe won one of the "Team Science" Awards from EFRC PI meeting with DOE.
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Dr. Sholl being recognized as a prolific author in JPCC (Jul 2017): Prof. David Sholl was recognized by the American Chemical Society as one of the 10 most prolific authors in The Journal of Physical Chemistry C in the past 5 years.
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Publications in Sholl group (Jul 2017): Ying Wu, Dai Tang, Ross Verploegh, and David Sholl published a journal title "Impacts of Gas Impurities from Piepeline Natural Gas on Methane Storage in Metal-Organic Frameworks during Long-Term Cycling" in JPCC.
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New Ph.D. in Sholl group (Jul 2017): Ross Verploegh in Sholl group successfully defended his Ph.D. thesis. Ross's research has focused on predicting adsorbate diffusion in multivariate ZIFs using atomistic simulations.
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Publication in Sholl group (Jul 2017): Ross Verploegh, Ying Wu, and David Sholl published a journal article titled "Lattice-Gas Modeling of Adsorbate Diffusion in Mixed-Linker Zeolitic Imidazolate Frameworks: Effect of Local Imidazolate Ordering"
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Lectures and Seminars (Jun 2017): Dr. Sholl gave a keynote lecture at the 2017 Australia CCS Research Conference in Melbourne, Australia.
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Publication in Sholl group (May 2017): Jongwoo Park, Ryan P. Lively, and David S. Sholl published an article titled Establishing upper bounds on CO2 swing capacity in sub-ambient pressure swing adsorption via molecular simulation of metal-organic frameworks in Journal of Materials Chemistry A
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1st Year Ph.D. Students Completed Ph.D. Qualifying Exams (May 2017): Jonathan and Shimiao, Ph.D. students in Sholl group, had successfully passed the Ph.D. qualifying exams.
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Lecture and Seminar by Dr. Sholl (May 2017): Dr. Sholl gave the Miegunyah Public Lecture at the University of Melbourne in Australia. His talk was titled "Chemical Separations - A Critical Component of the World's Energy Budget.".
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Summer internship in Sholl group (May 2017): Rebecca Han, Anny (Liu) Yang, and Mayank Agrawal, Ph.D. students in Sholl group, will be doing their summer internship at Milliken, Chevron, and Prixair, respectively.
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External fellowship recognition in Sholl group (Apr 2017): Rebecca Han, a Ph.D. student in Sholl group, won external fellowship Eastman Graduate Fellowship.
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Publication in Sholl group (Apr 2017): Krishna Jayachandrababu, a Ph.D. student in Nair group and co-advised by Dr. Sholl, published a paper in JACS.
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Academic Activity by Dr. Sholl (Mar 2017): Dr. Sholl chaired six sessions on Process Intensification at the AIChE Spring Meeting in San Antonio, Texas, as part of the official kick-off of RAPID, a DOE-funded manufacturing institute led by AIChE.
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Commentary in Nature Materials by Dr. Sholl (Mar 2017): Dr. Sholl recently presented a commentary article in Nature Materials, entitled as From water to organics in membrane separations
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Publication in Sholl group (Mar 2017): Josh Howe and Anny (Yang) Liu have recently published a paper entitled as Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material
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Chemical & Engineering News (Jan 2017): Chemical & Engineering News ran a feature story on Dr. Sholl's talk "The Secrets of Memorably Bad Presentations".
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Welcome to Alex Hyla (Jan 2017): Dr. Alex Hyla joined the Sholl group as a new postdoctoral fellow.
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Awards in Sholl group (Jan 2017): Anny Liu won the best presentation award at the 5th International Forum on Energy and Environment Science
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Publications in Sholl group (Dec 2016): Rebecca Han and Josh Howe have recently published papers in The Journal of Physical Chemistry C
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Rebecca won the 2016 Ziegler Award (Oct 2016): Rebecca Han, Ph.D. candidate in our group, is the winner of the 2016 Ziegler Award for Best Ph.D. Proposal for
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