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François Gygi
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2020 – today
- 2024
- [i1]Sameerah Helal, Zhe Tao, Cindy Rubio-González, François Gygi, Aditya V. Thakur:
Towards Verifying Exact Conditions of Density Functional Theory Approximations. CoRR abs/2408.05316 (2024)
2010 – 2019
- 2015
- [j9]Martin Schlipf, François Gygi:
Optimization algorithm for the generation of ONCV pseudopotentials. Comput. Phys. Commun. 196: 36-44 (2015) - 2014
- [c4]William Dawson, François Gygi:
Optimized Scheduling Strategies for Hybrid Density Functional theory Electronic Structure Calculations. SC 2014: 685-692 - 2012
- [j8]Gary Yuan, François Gygi:
A distributed approach to verification and validation of electronic structure simulation data using ESTEST. Comput. Phys. Commun. 183(8): 1744-1748 (2012) - 2010
- [j7]Ivan Duchemin, François Gygi:
A scalable and accurate algorithm for the computation of Hartree-Fock exchange. Comput. Phys. Commun. 181(5): 855-860 (2010) - [j6]Yuji Nakatsukasa, Zhaojun Bai, François Gygi:
Optimizing Halley's Iteration for Computing the Matrix Polar Decomposition. SIAM J. Matrix Anal. Appl. 31(5): 2700-2720 (2010)
2000 – 2009
- 2009
- [j5]Chris Muelder, François Gygi, Kwan-Liu Ma:
Visual Analysis of Inter-Process Communication for Large-Scale Parallel Computing. IEEE Trans. Vis. Comput. Graph. 15(6): 1129-1136 (2009) - 2008
- [j4]François Gygi:
Architecture of Qbox: A scalable first-principles molecular dynamics code. IBM J. Res. Dev. 52(1-2): 137-144 (2008) - [j3]Bronis R. de Supinski, Martin Schulz, Vasily V. Bulatov, William H. Cabot, Bor Chan, Andrew W. Cook, Erik W. Draeger, James N. Glosli, Jeffrey A. Greenough, Keith W. Henderson, Alison Kubota, Steve Louis, Brian J. Miller, Mehul V. Patel, Thomas E. Spelce, Frederick H. Streitz, Peter L. Williams, Robert K. Yates, Andy Yoo, George Almási, Gyan Bhanot, Alan Gara, John A. Gunnels, Manish Gupta, José E. Moreira, James C. Sexton, Robert Walkup, Charles Archer, François Gygi, Timothy C. Germann, Kai Kadau, Peter S. Lomdahl, Charles A. Rendleman, Michael L. Welcome, William McLendon, Bruce Hendrickson, Franz Franchetti, Stefan Kral, Juergen Lorenz, Christoph W. Überhuber, Edmond Chow, Ümit V. Çatalyürek:
BlueGene/L applications: Parallelism On a Massive Scale. Int. J. High Perform. Comput. Appl. 22(1): 33-51 (2008) - 2006
- [c3]François Gygi, Erik W. Draeger, Martin Schulz, Bronis R. de Supinski, John A. Gunnels, Vernon Austel, James C. Sexton, Franz Franchetti, Stefan Kral, Christoph W. Ueberhuber, Juergen Lorenz:
Gordon Bell finalists I - Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform. SC 2006: 45 - 2005
- [c2]George Almási, Gyan Bhanot, Alan Gara, Manish Gupta, James C. Sexton, Robert Walkup, Vasily V. Bulatov, Andrew W. Cook, Bronis R. de Supinski, James N. Glosli, Jeffrey A. Greenough, François Gygi, Alison Kubota, Steve Louis, Thomas E. Spelce, Frederick H. Streitz, Peter L. Williams, Robert K. Yates, Charles Archer, José E. Moreira, Charles A. Rendleman:
Scaling physics and material science applications on a massively parallel Blue Gene/L system. ICS 2005: 246-252 - [c1]François Gygi, Robert K. Yates, Juergen Lorenz, Erik W. Draeger, Franz Franchetti, Christoph W. Ueberhuber, Bronis R. de Supinski, Stefan Kral, John A. Gunnels, James C. Sexton:
Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code. SC 2005: 24 - 2004
- [j2]Jean-Luc Fattebert, François Gygi:
Linear scaling first-principles molecular dynamics with controlled accuracy. Comput. Phys. Commun. 162(1): 24-36 (2004) - 2002
- [j1]Jean-Luc Fattebert, François Gygi:
Density functional theory for efficient ab initio molecular dynamics simulations in solution. J. Comput. Chem. 23(6): 662-666 (2002)
Coauthor Index
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