François Gygi

According to our database, François Gygi authored at least 14 papers between 2002 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Towards Verifying Exact Conditions of Density Functional Theory Approximations.

Sameerah Helal, Zhe Tao, Cindy Rubio-González, François Gygi, Aditya V. Thakur

CoRR, 2024

2015

Optimization algorithm for the generation of ONCV pseudopotentials.

Martin Schlipf, François Gygi

Comput. Phys. Commun., 2015

2014

Optimized Scheduling Strategies for Hybrid Density Functional theory Electronic Structure Calculations.

William Dawson, François Gygi

Proceedings of the International Conference for High Performance Computing, 2014

2012

A distributed approach to verification and validation of electronic structure simulation data using ESTEST.

Gary Yuan, François Gygi

Comput. Phys. Commun., 2012

2010

Optimizing Halley's Iteration for Computing the Matrix Polar Decomposition.

Yuji Nakatsukasa, Zhaojun Bai, François Gygi

SIAM J. Matrix Anal. Appl., 2010

A scalable and accurate algorithm for the computation of Hartree-Fock exchange.

Ivan Duchemin, François Gygi

Comput. Phys. Commun., 2010

2009

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

Chris Muelder, François Gygi, Kwan-Liu Ma

IEEE Trans. Vis. Comput. Graph., 2009

2008

BlueGene/L applications: Parallelism On a Massive Scale.

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

Int. J. High Perform. Comput. Appl., 2008

Architecture of Qbox: A scalable first-principles molecular dynamics code.

François Gygi

IBM J. Res. Dev., 2008

2006

Gordon Bell finalists I - Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform.

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

Proceedings of the ACM/IEEE SC2006 Conference on High Performance Networking and Computing, 2006

2005

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

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

Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, 2005

Scaling physics and material science applications on a massively parallel Blue Gene/L system.

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

Proceedings of the 19th Annual International Conference on Supercomputing, 2005

2004

Linear scaling first-principles molecular dynamics with controlled accuracy.

Jean-Luc Fattebert, François Gygi

Comput. Phys. Commun., 2004

2002

Density functional theory for efficient ab initio molecular dynamics simulations in solution.

Jean-Luc Fattebert, François Gygi

J. Comput. Chem., 2002