David Sholl Executive Director and Vice Provost, University of Tennessee-Oak Ridge Innovation Institute Contact 865.341.1734 | SHOLLDS@ORNL.GOV All Publications Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials A Membrane Contactor Enabling Energy-Efficient CO2 Capture from Point Sources with Deep Eutectic Solvents... Identifying High-Performance Metal–Organic Frameworks for Low-Temperature Oxygen Recovery from Helium by Computational Screening Development of Porous Crystalline Materials for Selective Binding of O2 from Air Theoretical Pathway toward Improved Reverse Osmosis Membrane Selectivity for Neutral Solutes: Inspiration from Gas Separations Trends in Siting of Metals in Heterometallic Nd–Yb Metal–Organic Frameworks and Molecular Crystals Unblocking a rigid purine MOF for kinetic separation of xylenes Adapting UFF4MOF for Heterometallic Rare-Earth Metal–Organic Frameworks Metal–Organic Framework Integrating Ionic Framework and Bimetallic Coupling Effect for Highly Efficient Oxygen Evolution Reaction Achieving order of magnitude increases in CO2 reduction reaction efficiency by product separations and recycling... Curated Collection of More than 20,000 Experimentally Reported One-Dimensional Metal–Organic Frameworks Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation Point Defects Control Guest Molecule Diffusion in the 1D Pores of Zn(tbip) Kinetic Model of Acid Gas Induced Defect Propagation in Zeolitic Imidazolate Frameworks In silico design of microporous polymers for chemical separations and storage Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal–organic frameworks Molecular Simulations of CH4 and CO2 Diffusion in Rigid Nanoporous Amorphous Materials Experimentally Verified Alkane Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis Accelerating Solvent Selection for Type II Porous Liquids Exemplar Mixtures for Studying Complex Mixture Effects in Practical Chemical Separations... Incorporating Flexibility Effects into Metal–Organic Framework Adsorption Simulations Using Different Models Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials Pagination First page « First Previous page ‹â¶Ä¹ Page 1 Current page 2 Key Links Curriculum Vitae
