David S Sholl

57PUBLICATIONS
68CO-AUTHORS
Theoretical quantum chemistryMetal organic frameworksRadiation and matterWastewater treatment processesMetals and alloy materials
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Publications (57)

|Aug 08, 2026
Replacing Quantum Chemistry With Machine-Learned Interatomic Potentials: Revolution or Evolution?

|Feb 04, 2026
Examination of Replicate Syntheses of Metal Organic Frameworks as a Window into Reproducibility in Materials Chemistry.

David S Sholl

|Dec 10, 2025
Separation of Linear and Cyclic Siloxanes in Pure Silica Zeolites.

Jia Yuan Chng, David S Sholl

|Oct 29, 2025
Simulated Moving Bed Process for CO2 Capture from Humid Postcombustion Flue Gases Using MUF-16.

Akriti Sarswat, Yoseph A Guta, Mario Zorrilla-Valtierra

|Oct 29, 2025
Computational Analysis of the Energetic Stability of High-Entropy Structures of a Prototypical Lanthanide-Based Metal-Organic Framework.

Surbhi K A Kumar, Dorina F Sava Gallis, David S Sholl

|Sep 29, 2025
A Transferable Force Field for Predicting Adsorption and Diffusion of Water in Cationic Zeolites with Coupled Cluster Accuracy.

Salah Eddine Boulfelfel, Hanjun Fang, Alan S S Daou

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Frequent Collaborators

7 joint publications

Ryan P Lively

6 joint publications

Sankar Nair

4 joint publications

Andrew J Medford

4 joint publications

Krista S Walton