7.7k citations · 13.8k across the 37 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 7.7k cited
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
cond-mat.mtrl-sci2017★ 6 cited
H4-Alkanes: A new class of hydrogen storage material?
D. Harrison, E. Welchman, T. Thonhauser
The methane-based material (H)CH, also called H4M for short, is in essence a methane molecule with 4 physisorbed H molecules. While H4M has exceptionally high hydro…
cond-mat.mtrl-sci2017★ 19 cited
Decomposition mechanisms in metal borohydrides and their ammoniates
Evan Welchman, Timo Thonhauser
Ammoniation in metal borohydrides (MBs) with the form (BH) has been shown to lower their decomposition temperatures with of low electronegativity…