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cond-mat.mtrl-sci2025
Influence of pore-confined water on the thermal expansion of a zinc-based metal-organic framework
Nina Strasser, Benedikt Schrode, Ana Torvisco +7
Understanding the reversible intercalation of guest molecules into metal-organic frameworks is crucial for advancing their design for practical applications. In this work, we explo…
cond-mat.mtrl-sci2025
Analyzing Heat Transport in Crystalline Polymers in Real and Reciprocal Space
Lukas Reicht, Lukas Legenstein, Sandro Wieser +1
Heat transport can be modelled with a variety of approaches in real space (using molecular dynamics) or in reciprocal space (using the Boltzmann transport equation). Employing two…