David S. Sholl

发表

The materials genome in action: identifying the performance limits for methane storage

Diego A. Gómez-Gualdrón, Maciej Haranczyk, Berend Smit, 2015 .

Preface to special issue of catalysis today on modeling catalysis

David S. Sholl, 2005 .

How To Give A Truly Bad Talk

David S. Sholl, 2016 .

How Well Do Approximate Models of Adsorption-Based CO2 Capture Processes Predict Results of Detailed Process Models?

Ryan P. Lively, David S. Sholl, Matthew J. Realff, 2020 .

Research Challenges in Avoiding “Showstoppers” in Developing Materials for Large-Scale Energy Applications

David S. Sholl, Krista S. Walton, D. Sholl, 2017 .

Deep Work, Shallow Work, and Frippery

David S. Sholl, 2018 .

Hierarchical Bayesian estimation for adsorption isotherm parameter determination

David S. Sholl, Matthew J. Realff, Yoshiaki Kawajiri, 2020 .

A dimensionless reaction coordinate for quantifying the lateness of transition states

David S. Sholl, Thomas A. Manz, D. Sholl, 2009, J. Comput. Chem..

Final Technical Report for DOE Grant DE-FG02-03ER15473 “Molecular Level Design of Heterogeneous Chiral Catalysis”

David S. Sholl, Andrew J. Gellman, 2007 .

Basic Research Needs for Energy and Water: Report of the Office of Basic Energy Sciences Basic Research Needs Workshop for Energy and Water

Benjamin Gilbert, David S. Sholl, Michael Tsapatsis, 2017 .

Nanoscale design to enable the revolution in renewable energy

Gang Chen, Andrei G. Fedorov, David S. Sholl, 2009, Energy & Environmental Science.

New experimental studies on Mg(BH4)2 and other borohydrides (poster)

Ki Chul Kim, David S. Sholl, Yaroslav Filinchuk, 2010 .

Comparisons of diffusive and viscous contributions to transport coefficients of light gases in single-walled carbon nanotubes

David S. Sholl, Suresh K. Bhatia, Haibin Chen, 2005 .

Direct Air Capture of CO2 Using Amine Functionalized MIL-101(Cr)

David S. Sholl, Christopher W. Jones, Krista S. Walton, 2016 .

Thin Pt films on the polar SrTiO3(111) surface: an experimental and theoretical study

David S. Sholl, Paul A. Salvador, Christoph Niederberger, 2003 .

A Comparison of Atomistic Simulations and Experimental Measurements of Light Gas Permeation through Zeolite Membranes

David S. Sholl, John L. Falconer, Richard D. Noble, 2002 .

CO2 capture via adsorption in amine-functionalized sorbents

David S. Sholl, Christopher W. Jones, Krista S. Walton, 2016 .

Making High-Flux Membranes with Carbon Nanotubes

David S. Sholl, J. Karl Johnson, D. Sholl, 2006, Science.

Analysis of Equilibrium-Based TSA Processes for Direct Capture of CO2 from Air

David S. Sholl, D. Sholl, A. Kulkarni, 2012 .

Large-Scale Screening of Metal Hydride Mixtures for High-Capacity Hydrogen Storage from First-Principles Calculations

David S. Sholl, D. Sholl, Sudhakar V. Alapati, 2008 .

How Reproducible Are Isotherm Measurements in Metal–Organic Frameworks?

David S. Sholl, D. Sholl, J. Howe, 2017 .

Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals

Maciej Haranczyk, Jeffrey S. Camp, David S. Sholl, 2014 .

Seven chemical separations to change the world

Ryan P. Lively, David S. Sholl, D. Sholl, 2016, Nature.

Predictions of selectivity and flux for CH4/H2 separations using single walled carbon nanotubes as membranes

David S. Sholl, D. Sholl, Haibin Chen, 2006 .

Prediction of Hydrogen Flux Through Sulfur-Tolerant Binary Alloy Membranes

David S. Sholl, Bryan D. Morreale, Anthony V. Cugini, 2005, Science.

Light isotope separation in carbon nanotubes through quantum molecular sieving

David S. Sholl, Sivakumar R. Challa, J. Karl Johnson, 2001 .

Atomistic Simulations of CO2 and N2 Adsorption in Silica Zeolites: The Impact of Pore Size and Shape†

David S. Sholl, Jayme L. Dahlin, David Selassie, 2002 .

Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions

David S. Sholl, Mark D. Allendorf, Stephanie Teich-McGoldrick, 2012 .

Naturally Chiral Metal Surfaces as Enantiospecific Adsorbents

David S. Sholl, D. Sholl, A. Asthagiri, 2001 .

Screening metal-organic framework materials for membrane-based methane/carbon dioxide separations

David S. Sholl, D. Sholl, Seda Keskin and, 2007 .

Optimal resolution in maximum entropy image reconstruction from projections with multigrid acceleration

T. A. Manteuffel, Stephen F. McCormick, David S. Sholl, 1993 .

Using first-principles calculations to accelerate materials discovery for hydrogen purification membranes by modeling amorphous metals

David S. Sholl, Shiqiang Hao, D. Sholl, 2008 .

Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

David S. Sholl, Seda Keskin, Rees B Rankin, 2009 .

Material properties and operating configurations of membrane reactors for propane dehydrogenation

David S. Sholl, Christopher W. Jones, Seung-Won Choi, 2015 .

Density functional theory studies of alloys in heterogeneous catalysis

David S. Sholl, John R. Kitchin, D. Sholl, 2008 .

Predicting reaction equilibria for destabilized metal hydride decomposition reactions for reversible hydrogen storage

David S. Sholl, D. Sholl, Sudhakar V. Alapati, 2007 .

Density Functional Theory

David S. Sholl, D. Sholl, J. A. Steckel, 2009 .

Transport Diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in Silicalite from Atomistic Simulations

David S. Sholl, D. Sholl, A. Skoulidas, 2002 .

Dense Metal Membranes for the Production of High-Purity Hydrogen

David S. Sholl, D. Sholl, Y. Ma, 2006 .

Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations

David S. Sholl, Sivakumar R. Challa, J. Karl Johnson, 2002 .

Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory

Jeffrey S. Camp, David S. Sholl, Randall Q. Snurr, 2017 .

Quantum Sieving in Carbon Nanotubes and Zeolites

David S. Sholl, Sivakumar R. Challa, D. Sholl, 1999 .