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searching for Quantum ESPRESSO 4 found (26 total)

List of software for nanostructures modeling (621 words) [view diff] case mismatch in snippet view article find links to article

(nanostructures, polymers, surfaces...), set up and analyze ab-initio (Quantum Espresso, VASP, Abinit, NWChem...) or classical (LAMMPS, Towhee) simulations

International Centre for Theoretical Physics (853 words) [view diff] exact match in snippet view article find links to article

developing countries. The Walter Kohn Prize – Given jointly by ICTP and the Quantum ESPRESSO foundation, for work in quantum mechanical materials or molecular modelling

Brillouin zone (640 words) [view diff] case mismatch in snippet view article find links to article

consortium database (Duke University) AFLOW Standardization of VASP/QUANTUM ESPRESSO input files (Duke University) Archived 2021-11-26 at the Wayback Machine

NanoHUB (1,741 words) [view diff] exact match in snippet view article find links to article

dynamics to simulate materials at the atomic scale. DFT calculations with Quantum ESPRESSO uses density functional theory to simulate the electronic structure