Code Name |
Field |
Owner |
Access |
OS |
Source? |
Github? |
|---|---|---|---|---|---|---|
Quantum Espresso |
Atomistics / DFT |
|
Free |
Linux |
|
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
Citing Quantum Espresso
Quantum ESPRESSO is an Open Source distribution. We shall greatly appreciate if scientific work done using Quantum ESPRESSO will contain an explicit acknowledgment and the following reference:
P. Giannozzi, et al J.Phys.:Condens.Matter, 21, 395502 (2009)