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cond-mat.mtrl-sci2018
Ab Initio Electron-Phonon Interactions Using Atomic Orbital Wavefunctions
Luis A. Agapito, Marco Bernardi
The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics,…
cond-mat.mtrl-sci2017
The AFLOW Fleet for Materials Discovery
Cormac Toher, Corey Oses, David Hicks +48
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the d…