François Gygi

15 papers A 4Journal 10Unranked 1
YearRankTypeTitle / Venue / Authors
2024 — conf
Towards Verifying Exact Conditions for Implementations of Density Functional Approximations.
SC Workshops
Sameerah Helal, Zhe Tao, Cindy Rubio-González, François Gygi, Aditya V. Thakur
2024 J jnl
Towards Verifying Exact Conditions of Density Functional Theory Approximations.
CoRR
Sameerah Helal, Zhe Tao, Cindy Rubio-González, François Gygi, Aditya V. Thakur
2015 J jnl
Optimization algorithm for the generation of ONCV pseudopotentials.
Comput. Phys. Commun.
Martin Schlipf, François Gygi
2014 A conf
Optimized Scheduling Strategies for Hybrid Density Functional theory Electronic Structure Calculations.
SC
William Dawson, François Gygi
2012 J jnl
A distributed approach to verification and validation of electronic structure simulation data using ESTEST.
Comput. Phys. Commun.
Gary Yuan, François Gygi
2010 J jnl
A scalable and accurate algorithm for the computation of Hartree-Fock exchange.
Comput. Phys. Commun.
Ivan Duchemin, François Gygi
2010 J jnl
Optimizing Halley's Iteration for Computing the Matrix Polar Decomposition.
SIAM J. Matrix Anal. Appl.
Yuji Nakatsukasa, Zhaojun Bai, François Gygi
2009 J jnl
Visual Analysis of Inter-Process Communication for Large-Scale Parallel Computing.
IEEE Trans. Vis. Comput. Graph.
Chris Muelder, François Gygi, Kwan-Liu Ma
2008 J jnl
Architecture of Qbox: A scalable first-principles molecular dynamics code.
IBM J. Res. Dev.
François Gygi
2008 J jnl
BlueGene/L applications: Parallelism On a Massive Scale.
Int. J. High Perform. Comput. Appl.
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
2006 A conf
Gordon Bell finalists I - Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform.
SC
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
2005 A conf
Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code.
SC
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
2005 A conf
Scaling physics and material science applications on a massively parallel Blue Gene/L system.
ICS
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
2004 J jnl
Linear scaling first-principles molecular dynamics with controlled accuracy.
Comput. Phys. Commun.
Jean-Luc Fattebert, François Gygi
2002 J jnl
Density functional theory for efficient ab initio molecular dynamics simulations in solution.
J. Comput. Chem.
Jean-Luc Fattebert, François Gygi