Crushing Elemental Calcium into a High Temperature Superconductor.

Zhiping Yin , Francois Gygi , Warren Pickett
APS March Meeting Abstracts J33. 002 -J33. 002

2009
Assessment of Possible FFLO States in Real Materials.

Alan Kyker , Francois Gygi ,
APS March Meeting Abstracts J32. 009 -J32. 009

2005
Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGene/L Computer

Francois Gygi , Erik W Draeger
APS March Meeting Abstracts G27. 006 -G27. 006

2006
Data compression algorithms for electronic wave functions

William Dawson , Francois Gygi
APS March Meeting Abstracts 2016 B20. 012 -B20. 012

1
2016
Make simulations reproducible

Francois Gygi
Nature 503 ( 7477) 464 -464

1
2013
GPU Acceleration of the Qbox First-Principles Molecular Dynamics Code

William Dawson , Francois Gygi
APS March Meeting Abstracts 2012 W26. 002 -W26. 002

1
2012
Free energy landscapes and transition rates of dynamic properties of Au 4 neutral and charged clusters at finite temperature

Jiale Shi , Francois Gygi , Jonathan Whitmer
APS March Meeting Abstracts 2021 Y26. 011 -Y26. 011

2021
2019
Comparison and Validation of Recent Exchange-Correlation Functionals for First-Principles Simulations of Water

Michael Lacount , Francois Gygi
APS March Meeting Abstracts 2018 K57. 012 -K57. 012

2018
Extending the accuracy and scale of first-principles molecular dynamics simulations

Francois Gygi
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254

2017
The Road to Interoperable Simulation Software: Examples Using the Qbox Code

Francois Gygi
APS March Meeting Abstracts 2016 P14. 003 -P14. 003

2016
Performance and Accuracy of Recursive Subspace Bisection for Hybrid DFT Calculations

William Dawson , Francois Gygi
APS March Meeting Abstracts 2015 T24. 008 -T24. 008

2015
A Dataset of First-Principles Molecular Dynamics Simulations of Water

Francois Gygi , William Dawson
APS March Meeting Abstracts 2015 D26. 004 -D26. 004

2015
Accuracy, Speed, Scalability: the Challenges of Large-Scale DFT Simulations

Francois Gygi
APS March Meeting Abstracts 2014 D27. 001 -D27. 001

2014
Accelerating Hybrid Density Functional Theory Molecular Dynamics

William Dawson , Francois Gygi
APS March Meeting Abstracts 2014 G27. 008 -G27. 008

2014
Hybrid DFT First-Principles Study of the Properties of Water

Martin Schlipf , Francois Gygi
APS March Meeting Abstracts 2014 L27. 002 -L27. 002

2014
Large-Scale Hybrid-DFT First-Principles Molecular Dynamics

William Dawson , Francois Gygi
APS March Meeting Abstracts 2013 A24. 002 -A24. 002

2013
Acceleration of Hartree-Fock Exchange Computations using Recursive Subspace Bisection

Ivan Duchemin , Francois Gygi
APS March Meeting Abstracts 2012 B39. 001 -B39. 001

2012
Distributed Network-Based Verification and Validation of Electronic Structure Computations using ESTEST

Gary Yuan , Francois Gygi
APS March Meeting Abstracts 2012 A39. 003 -A39. 003

2012
A Qbox Implementation of van der Waals Density Functionals with Applications

Jun Wu , Francois Gygi
APS March Meeting Abstracts 2012 H6. 012 -H6. 012

2012