Rayleigh quotient iteration, an old recipe for solving modern large-scale eigenvalue problems

J. Descloux , J.-L. Fattebert , F. Gygi , Ralf Gruber
Computers in Physics 12 ( 1) 22 -27

9
1998
Ab-initio simulations of low- Z fluids under pressure

G. Galli , E. Schwegler , B. Militzer , R. Hood
Acta Crystallographica Section A 58 39 -39

2002
Crystal structure of carbon dioxide at high pressure : "Superhard" polymeric carbon dioxide

C. S. Yoo , H. Cynn , F. Gygi , G. Galli
Physical Review Letters 83 ( 26) 5527 -5530

270
1999
Visual Analysis of Inter-Process Communication for Large-Scale Parallel Computing

C. Muelder , F. Gygi , Kwan-Liu Ma
IEEE Transactions on Visualization and Computer Graphics 15 ( 6) 1129 -1136

20
2009
Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation.

F. Gygi , A. Baldereschi
Physical Review Letters 62 ( 18) 2160 -2163

165
1989
32
2009
Reproducibility in density functional theory calculations of solids

Matthew Ian James Probert , Philip James Hasnip , Kurt Lejaeghere , Gustav Bihlmayer
Science 351 ( 6280) 1415 -1423

894
2016
Real-time monitoring of large scientific simulations

V. Pascucci , D. E. Laney , R. J. Frank , G. Scorzelli
acm symposium on applied computing 194 -198

24
2003
Linear-scaling first-principles molecular dynamics with plane-waves accuracy

J.-L. Fattebert , F. Gygi
Physical Review B 73 ( 11) 115124

84
2006
Theoretical study of the(3×2)reconstruction ofβ-SiC(001)

L. Pizzagalli , A. Catellani , G. Galli , F. Gygi
Physical Review B 60 ( 8) R5129 -R5132

21
1999
Melting of ice under pressure

E. Schwegler , M. Sharma , F. Gygi , G. Galli
Proceedings of the National Academy of Sciences of the United States of America 105 ( 39) 14779 -14783

102
2008
The Fifth Element in the Periodic Table, Boron: Do we know the Ground State Structure?

T. Ogitsui , G. Galli , F. Gygi
Acta Crystallographica Section A 61 54 -55

2005
First-principles simulations of LiH: towards the B2 Phase

T. Ogitsu , E. Schwegler , G. Galli , F. Gygi
Acta Crystallographica Section A 61 466 -466

2005
Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code

F. Gygi , R.K. Yates , J. Lorenz , E.W. Draeger
conference on high performance computing (supercomputing) 24 -24

68
2005
Structural and electronic properties of clean and defected Si-SiC[001] surfaces

G. Galli , F. Gygi , A. Catellani
Semiconducting and Insulating Materials 1998. Proceedings of the 10th Conference on Semiconducting and Insulating Materials (SIMC-X) (Cat. No.98CH36159) 279 -282

1998
High-Pressure Molecular Phases of Solid Carbon Dioxide

S. A. Bonev , F. Gygi , T. Ogitsu , G. Galli
Physical Review Letters 91 ( 6) 065501

107
2003
First-principles calculations of the dielectric properties of silicon nanostructures

S. Hamel , A. J. Williamson , H. F. Wilson , F. Gygi
Applied Physics Letters 92 ( 4) 043115

23
2008
Architecture of Qbox: a scalable first-principles molecular dynamics code

F. Gygi
Ibm Journal of Research and Development 52 ( 1) 137 -144

241
2008
Fermiology and Fulde-Ferrell-Larkin-Ovchinnikov Phase Formation

A. B. Kyker , W. E. Pickett , F. Gygi
Physical Review B 71 ( 22) 224517

4
2005
218
1986