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20212026
most citedElectronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals

77 citations · 132 across the 12 of their papers we have counts for

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cond-mat.mtrl-sci2026

Enhancing Hydrogen Adsorption Ability of MOF-5 with Metal Node Exchange and Linker Functionalisation

Joshua Edzards, Holger-Dietrich Sassnick, Caterina Cocchi

In the search for promising material candidates for hydrogen storage, we investigate from first principles derivatives of metal organic framework 5 (MOF-5), including isoelectronic…

cond-mat.mtrl-sci2026

AIM2DAT: A Python-based Automated Ab Initio Material Modeling and Data Analysis Toolkit

Holger-Dietrich Saßnick, Joshua Edzards, Timo Reents +1

The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the…