MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials

N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior, +8

Journal of Chemical & Engineering Data

Online DatabaseEngineeringMachine LearningNanoporous MaterialComputational Chemistry +24

Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants

Kaihang Shi, Cheng Lian, Zhishan Bai, +2

Chemical Engineering Science

Non-ionic SurfactantsChemical EngineeringMolecular KineticsEngineeringFluid Mechanics +11

The Young–Laplace equation for a solid–liquid interface

Pablo Montero de Hijes, Kaihang Shi, Eva G. Noya, +4

The Journal of Chemical Physics

Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling

Filip Formalik, Kaihang Shi, Faramarz Joodaki, +2

Advanced Functional Materials

Functional PropertiesEngineeringMaterial SimulationOrganic ChemistryComputational Nanostructure Modeling +21

A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

Kaihang Shi, Edward R. Smith, Erik E. Santiso, +1

The Journal of Chemical Physics

High Hydrostatic PressureEngineeringMultiscale MechanicsFuture ChallengesMicroscopic Pressure Tensor +19

Probabilistic Evaluation of Structural Fire Resistance

Qianru Guo, Kaihang Shi, Zili Jia, +1

Fire Technology

Reliability EngineeringEngineeringFire SafetyProbabilistic Structural Fire EngineeringCivil Engineering +5

Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials

Kaihang Shi, Zhao Li, Dylan M. Anstine, +5

Journal of Chemical Theory and Computation

Fabrication of a freestanding metal organic framework predominant hollow fiber mat and its potential applications in gas separation and catalysis

Zijian Dai, Dennis T. Lee, Kaihang Shi, +6

Journal of Materials Chemistry A

Materials ScienceMaterials EngineeringChemical EngineeringVoc Abatement ApplicationsEngineering +10

Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics

John D. Schneible, Kaihang Shi, Ashlyn T. Young, +9

Journal of Materials Chemistry B

NanotherapeuticsBiomimetic MaterialsEngineeringPeptide EngineeringBiofabrication +20

Designing Intrinsically Microporous Polymer (PIM-1) Microfibers with Tunable Morphology and Porosity via Controlling Solvent/Nonsolvent/Polymer Interactions

Siyao Wang, Kaihang Shi, Anurodh Tripathi, +3

ACS Applied Polymer Materials

Materials ScienceNanofiberMicroporous PolymerEngineeringPolymer Technology +13