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cond-mat.mtrl-sci2026
Data-driven Design of Metal-Organic Frameworks with Tunable Negative Thermal Expansion
Prathami Divakar Kamath, Francesco Tavani, Alin Marin Elena +6
Materials with negative thermal expansion (NTE) are essential for applications requiring precise control of thermal expansion. Owing to their exceptional chemical tunability, flexi…
cond-mat.mtrl-sci2026
The impact of spurious imaginary phonon modes on thermal properties of Metal-organic Frameworks
Prathami Divakar Kamath, Kristin A. Persson
Metal-organic Frameworks (MOFs) have emerged as potential candidates for direct air capture (DAC) of green house gases and water. Thermal properties of MOFs, such as their heat cap…