2 papers
cond-mat.mtrl-sci2026
Cepstral Analysis to accelerate Green-Kubo thermal conductivity calculations of Metal-Organic Frameworks
Florian P. Lindner, Egbert Zojer, Sandro Wieser
Metal-organic frameworks (MOFs) are promising porous materials for applications such as gas storage and separation, where heat transport can critically affect device performance. H…
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…