Strategies for Controlling Through-Space Charge Transport in Metal-Organic Frameworks via Structural Modifications by Christian Winkler, Egbert Zojer

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Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks by Sandro Wieser, Egbert Zojer

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The Potential of X-ray Photoelectron Spectroscopy for Determining Interface Dipoles of Self-Assembled Monolayers by Thomas C. Taucher, Egbert Zojer

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Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials by Nina Strasser, Sandro Wieser, Egbert Zojer

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Electrostatic Design of Polar Metal–Organic Framework Thin Films by Giulia Nascimbeni, Christof Wöll, Egbert Zojer

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Final-State Simulations of Core-Level Binding Energies at Metal-Organic Hybrid Interfaces: Artifacts Caused by Spurious Collective Electrostatic Effects by Thomas C. Taucher, Oliver T. Hofmann, Egbert Zojer

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Exploring the Impact of the Linker Length on Heat Transport in Metal–Organic Frameworks by Sandro Wieser, Tomas Kamencek, Rochus Schmid, Natalia Bedoya-Martínez, Egbert Zojer

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Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks by Andreas Windischbacher, Luca Steiner, Ritesh Haldar, Christof Wöll, Egbert Zojer, Anne-Marie Kelterer

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