David S Sholl Executive Director and Vice Provost, University of Tennessee-Oak Ridge Innovation Institute Contact shollds@ornl.gov | 865.341.1734 All Publications Adapting UFF4MOF for Heterometallic Rare-Earth Metal–Organic Frameworks... Achieving order of magnitude increases in CO2 reduction reaction efficiency by product separations and recycling... Metal–Organic Framework Integrating Ionic Framework and Bimetallic Coupling Effect for Highly Efficient Oxygen Evolution Re... 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 est... 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... Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal–organ... In silico design of microporous polymers for chemical separations and storage... 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 Mixtur... Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Key Links Curriculum Vitae Google Scholar