39 citations · 70 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2023★ 5 cited
Computing chemical potentials of adsorbed or confined fluids
Rochus Schmid, Bingqing Cheng
The chemical potential of adsorbed or confined fluids provides insight into their unique thermodynamic properties and determines adsorption isotherms. However, it is often difficul…
cond-mat.mtrl-sci2020★ 26 cited
Identifying the Bottleneck for Heat Transport in Metal-Organic Frameworks
Sandro Wieser, Tomas Kamencek, Johannes P. Dürholt +3
Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces betw…
cond-mat.mtrl-sci2020★ 39 cited
Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
Tomas Kamencek, Sandro Wieser, Hirotaka Kojima +4
Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other prope…