Quantum ESPRESSO (QE) [1] is an open source plane-wave pseudopotential ab
initio electronic structure code, widely used in the condensed matter and
materials science communities. Current GPU code implementation is limited to
ground state properties in the PW module [2], and there are growing needs
for GPU-accelerated codes for response properties in the Phonon module,
which are computationally more costly than ground state properties. A
GPU-accelerated Phonon module will benefit broad QE users with interest in
the fundamental physical properties of phonons, response functions, and
spectral properties. In collaboration with lead the QE GPU developer Dr.
Filippo Spiga, the goal of this project is to develop GPU codes to
accelerate the response function calculations in QE.

### References

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Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A.
Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U.
Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N.
Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L.
Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen,
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21, 395502 (2009)
http://dx.doi.org/10.1088/0953-8984/21/39/395502 .
- Filippo Spiga, and Ivan Girotto. "phiGEMM: a CPU-GPU library for
porting Quantum ESPRESSO on hybrid systems." Parallel, Distributed
and Network-Based Processing (PDP), 2012 20th Euromicro
International Conference on. IEEE, 2012.