David S Sholl

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 47

Top Topics

Aqueous Solution

Machine Learning

Highly Efficient

Metal Organic Framework

Top Venues

ACS applied materials & interfaces

The journal of physical chemistry. C, Nanomaterials and interfaces

The journal of physical chemistry letters

Chemistry of materials : a publication of the American Chemical Society

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

Publications

Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M Brabson, Abhishek Das, Zachary W Ulissi, Matt Uyttendaele, Andrew James Medford, David S Sholl
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture. ACS central science 10 (5) (2024)
Akriti Sarswat, John Bacsa, Ankana Roy, Joao Marreiros, Neal K Devaraj, David S Sholl, Ryan P Lively
Investigating the Effect of Trace Levels of Manganese Ions During Solvothermal Synthesis of Massey University Framework-16 on CO 2 Uptake Capacity. Chemistry of materials : a publication of the American Chemical Society 36 (11) (2024)
Akriti Sarswat, John Bacsa, Ankana Roy, Joao Marreiros, Neal K Devaraj, David S Sholl, Ryan P Lively
Investigating the Effect of Trace Levels of Manganese Ions During Solvothermal Synthesis of Massey University Framework-16 on CO 2 Uptake Capacity. Chemistry of materials : a publication of the American Chemical Society 36 (11) (2024)
Xuqing Cai, Mark A Coletti, David S Sholl, Melissa R Allen-Dumas
Assessing Impacts of Atmospheric Conditions on Efficiency and Siting of Large-Scale Direct Air Capture Facilities. JACS Au 4 (5) (2024)
Shubham Jamdade, Zhenzi Yu, Salah Eddine Boulfelfel, Xuqing Cai, Raghuram Thyagarajan, Hanjun Fang, David S Sholl
Probing Structural Defects in MOFs Using Water Stability. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Shubham Jamdade, Zhenzi Yu, Salah Eddine Boulfelfel, Xuqing Cai, Raghuram Thyagarajan, Hanjun Fang, David S Sholl
Probing Structural Defects in MOFs Using Water Stability. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Xuqing Cai, Mark A Coletti, David S Sholl, Melissa R Allen-Dumas
Assessing Impacts of Atmospheric Conditions on Efficiency and Siting of Large-Scale Direct Air Capture Facilities. JACS Au 4 (5) (2024)
Matthew J Hurlock, Lu Lu, Akriti Sarswat, Chao-Wen Chang, Jessica M Rimsza, David S Sholl, Ryan P Lively, Tina M Nenoff
Exploitation of Pore Structure for Increased CO 2 Selectivity in Type 3 Porous Liquids. ACS applied materials & interfaces (2024)
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M Brabson, Abhishek Das, Zachary W Ulissi, Matt Uyttendaele, Andrew James Medford, David S Sholl
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture. ACS central science 10 (5) (2024)
Lukas W Bingel, Zhenzi Yu, David S Sholl, Krista S Walton
Does Mixed Linker-Induced Surface Heterogeneity Impact the Accuracy of IAST Predictions in UiO-66-NH 2 ? The journal of physical chemistry. C, Nanomaterials and interfaces 127 (42) (2023)
Jacek Jakowski, Jingsong Huang, Syed Z Islam, David S Sholl
Quantum Chemical Simulations of CO 2 and N 2 Capture in Reline, a Prototypical Deep Eutectic Solvent. The journal of physical chemistry. B (2023)
Arvind Ganesan, Peter C Metz, Raghuram Thyagarajan, Yuchen Chang, Stephen C Purdy, Krishna C Jayachandrababu, Katharine L Page, David S Sholl, Sankar Nair
Structural and Adsorption Properties of ZIF-8-7 Hybrid Materials Synthesized by Acid Gas-Assisted and De Novo Routes. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (49) (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)
Arvind Ganesan, Peter C Metz, Raghuram Thyagarajan, Yuchen Chang, Stephen C Purdy, Krishna C Jayachandrababu, Katharine L Page, David S Sholl, Sankar Nair
Structural and Adsorption Properties of ZIF-8-7 Hybrid Materials Synthesized by Acid Gas-Assisted and De Novo Routes. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (49) (2023)
Zhenzi Yu, Shubham Jamdade, Xiaohan Yu, Xuqing Cai, David S Sholl
Efficient Generation of Large Collections of Metal-Organic Framework Structures Containing Well-Defined Point Defects. The journal of physical chemistry letters (2023)
Yuhan Yang, Zhenzi Yu, David S Sholl
Machine Learning Models for Predicting Molecular Diffusion in Metal-Organic Frameworks Accounting for the Impact of Framework Flexibility. Chemistry of materials : a publication of the American Chemical Society 35 (23) (2023)
Jia Yuan Chng, David S Sholl
Quantitative Simulations of Siloxane Adsorption in Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Arvind Ganesan, Johannes Leisen, Raghuram Thyagarajan, David S Sholl, Sankar Nair
Hierarchical ZIF-8 Materials via Acid Gas-Induced Defect Sites: Synthesis, Characterization, and Functional Properties. ACS applied materials & interfaces (2023)
Xiaohan Yu, Dai Tang, Jia Yuan Chng, David S Sholl
Efficient Exploration of Adsorption Space for Separations in Metal-Organic Frameworks Combining the Use of Molecular Simulations, Machine Learning, and Ideal Adsorbed Solution Theory. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (38) (2023)
Yuhan Yang, Zhenzi Yu, David S Sholl
Machine Learning Models for Predicting Molecular Diffusion in Metal-Organic Frameworks Accounting for the Impact of Framework Flexibility. Chemistry of materials : a publication of the American Chemical Society 35 (23) (2023)
Kai Cui, Sankar Nair, David S Sholl, J R Schmidt
Kinetic Model of Acid Gas Induced Defect Propagation in Zeolitic Imidazolate Frameworks. The journal of physical chemistry letters 13 (28) (2022)
Chao-Wen Chang, Isaiah Borne, Robin M Lawler, Zhenzi Yu, Seung Soon Jang, Ryan P Lively, David S Sholl
Accelerating Solvent Selection for Type II Porous Liquids. Journal of the American Chemical Society 144 (9) (2022)
Farhad Gharagheizi, Zhenzi Yu, David S Sholl
Curated Collection of More than 20,000 Experimentally Reported One-Dimensional Metal-Organic Frameworks. ACS applied materials & interfaces 14 (37) (2022)
Ifayoyinsola A Ibikunle, Yuhan Yang, Nichole R Valdez, Mark A Rodriguez, Jacob A Harvey, Dorina F Sava Gallis, David S Sholl
Trends in Siting of Metals in Heterometallic Nd-Yb Metal-Organic Frameworks and Molecular Crystals. ACS applied materials & interfaces 14 (48) (2022)
Akshay Korde, Byunghyun Min, Elina Kapaca, Omar Knio, Iman Nezam, Ziyuan Wang, Johannes Leisen, Xinyang Yin, Xueyi Zhang, David S Sholl, Xiaodong Zou, Tom Willhammar, Christopher W Jones, Sankar Nair
Single-walled zeolitic nanotubes. Science (New York, N.Y.) 375 (6576) (2022)
Shulin Li, Tienan Wang, Dai Tang, Yuting Yang, Yuyang Tian, Fengchao Cui, Jifeng Sun, Xiaofei Jing, David S Sholl, Guang-Shan Zhu
Metal-Organic Framework Integrating Ionic Framework and Bimetallic Coupling Effect for Highly Efficient Oxygen Evolution Reaction. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 9 (30) (2022)
Yuhan Yang, Ifayoyinsola A Ibikunle, Dorina F Sava Gallis, David S Sholl
Adapting UFF4MOF for Heterometallic Rare-Earth Metal-Organic Frameworks. ACS applied materials & interfaces 14 (48) (2022)
David S Sholl, Ryan P Lively
Exemplar Mixtures for Studying Complex Mixture Effects in Practical Chemical Separations. JACS Au 2 (2) (2022)
Carmen Chen, Zhenzi Yu, David S Sholl, Krista S Walton
Effect of Loading on the Water Stability of the Metal-Organic Framework DMOF-1 [Zn(bdc)(dabco) 0.5 ]. The journal of physical chemistry letters 13 (22) (2022)
Chenkai Gu, Zhenzi Yu, Jing Liu, David S Sholl
Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation. ACS applied materials & interfaces 13 (9) (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)
Zhenzi Yu, Dylan M Anstine, Salah Eddine Boulfelfel, Chenkai Gu, Coray M Colina, David S Sholl
Incorporating Flexibility Effects into Metal-Organic Framework Adsorption Simulations Using Different Models. ACS applied materials & interfaces 13 (51) (2021)
Dai Tang, Farhad Gharagheizi, David S Sholl
Adsorption-Based Separation of Near-Azeotropic Mixtures-A Challenging Example for High-Throughput Development of Adsorbents. The journal of physical chemistry. B 125 (3) (2021)
Yi Huang, Yang Jiao, Ting Chen, Yutao Gong, Songcheng Wang, Yang Liu, David S Sholl, Krista S Walton
Tuning the Wettability of Metal-Organic Frameworks via Defect Engineering for Efficient Oil/Water Separation. ACS applied materials & interfaces 12 (30) (2020)
Hanjun Fang, John Findley, Giovanni Muraro, Peter I Ravikovitch, David S Sholl
A Strong Test of Atomically Detailed Models of Molecular Adsorption in Zeolites Using Multilaboratory Experimental Data for CO2 Adsorption in Ammonium ZSM-5. The journal of physical chemistry letters 11 (2) (2020)
David S Sholl
Five Easy Ways To Make Your Research More Reproducible. Langmuir : the ACS journal of surfaces and colloids 35 (41) (2019)
Mayank Agrawal, Salah E Boulfelfel, Dorina F Sava Gallis, Jeffery A Greathouse, David S Sholl
Determining Diffusion Coefficients of Chemical Warfare Agents in Metal-Organic Frameworks. The journal of physical chemistry letters 10 (24) (2019)
Mayank Agrawal, David S Sholl
Effects of Intrinsic Flexibility on Adsorption Properties of Metal-Organic Frameworks at Dilute and Nondilute Loadings. ACS applied materials & interfaces 11 (34) (2019)
Mayank Agrawal, Rebecca Han, Dinushka Herath, David S Sholl
Does repeat synthesis in materials chemistry obey a power law? Proceedings of the National Academy of Sciences of the United States of America 117 (2) (2019)
Chu Han, Ross J Verploegh, David S Sholl
Assessing the Impact of Point Defects on Molecular Diffusion in ZIF-8 Using Molecular Simulations. The journal of physical chemistry letters 9 (14) (2018)
Dai Tang, Ying Wu, Ross J Verploegh, David S Sholl
Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules. ChemSusChem 11 (9) (2018)
Han Zuilhof, Shu-Hong Yu, David S Sholl
Writing Theory and Modeling Papers for Langmuir: The Good, the Bad, and the Ugly. Langmuir : the ACS journal of surfaces and colloids 34 (5) (2018)
Krishna C Jayachandrababu, David S Sholl, Sankar Nair
Structural and Mechanistic Differences in Mixed-Linker Zeolitic Imidazolate Framework Synthesis by Solvent Assisted Linker Exchange and de Novo Routes. Journal of the American Chemical Society 139 (16) (2017)
Krishna C Jayachandrababu, Souryadeep Bhattacharyya, Yadong Chiang, David S Sholl, Sankar Nair
Recovery of Acid-Gas-Degraded Zeolitic Imidazolate Frameworks by Solvent-Assisted Crystal Redemption (SACRed). ACS applied materials & interfaces 9 (40) (2017)
Ross J Verploegh, Ying Wu, David S Sholl
Lattice-Gas Modeling of Adsorbate Diffusion in Mixed-Linker Zeolitic Imidazolate Frameworks: Effect of Local Imidazolate Ordering. Langmuir : the ACS journal of surfaces and colloids 33 (26) (2017)
Joshua D Howe, Yang Liu, Luis Flores, David A Dixon, David S Sholl
Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material. Journal of chemical theory and computation 13 (3) (2017)
Lalit A Darunte, Yuri Terada, Christopher R Murdock, Krista S Walton, David S Sholl, Christopher W Jones
Monolith-Supported Amine-Functionalized Mg2(dobpdc) Adsorbents for CO2 Capture. ACS applied materials & interfaces 9 (20) (2017)