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20032022
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2020 · cond-mat.mes-hallShow all

2 papers · 2 filters

cond-mat.mes-hall2020★ 25 cited

Ab initio mobility of mono-layer MoS2 and WS2: comparison to experiments and impact on the device characteristics

Youseung Lee, Sara Fiore, Mathieu Luisier

We combine the linearized Boltzmann Transport Equation (LBTE) and quantum transport by means of the Non-equilibrium Green's Functions (NEGF) to simulate single-layer MoS2 and WS2 u…

cond-mat.mes-hall2020★ 51 cited

Quantum mechanical modeling of anharmonic phonon-phonon scattering in nanostructures

Yangyu Guo, Marc Bescond, Zhongwei Zhang +3

The coherent quantum effect becomes increasingly important in the heat dissipation bottleneck of semiconductor nanoelectronics with the characteristic size shrinking down to few na…