Jean-Luc Fattebert

25 papers A 3Journal 21Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
A Reduced Order Model approach for First-Principles Molecular Dynamics Computations.
CoRR
Siu Wun Cheung, Youngsoo Choi, Jean-Luc Fattebert, Jonas Kaufman, Daniel Osei-Kuffuor
2026 J jnl
Theory and numerics of subspace approximation of eigenvalue problems.
Appl. Math. Comput.
Siu Wun Cheung, Youngsoo Choi, Seung Whan Chung, Jean-Luc Fattebert, Coleman Kendrick, Daniel Osei-Kuffuor
2025 J jnl
Model Order Reduction for Quantum Molecular Dynamics.
CoRR
Siu Wun Cheung, Youngsoo Choi, Jean-Luc Fattebert, Daniel Osei-Kuffuor
2024 J jnl
Co-design for Particle Applications at Exascale.
Comput. Sci. Eng.
Samuel Temple Reeve, Jean-Luc Fattebert, Stephen Dewitt, Pablo Seleson, David Joy, Stuart R. Slattery, Aaron Scheinberg, Rene Halver, Christoph Junghans, Christian F. A. Negre, Michael E. Wall, Yu Zhang, Anders M. N. Niklasson, James F. Belak, Susan M. Mniszewski, Danny Perez
2024 J jnl
Theory and numerics of subspace approximation of eigenvalue problems.
CoRR
Siu Wun Cheung, Youngsoo Choi, Seung Whan Chung, Jean-Luc Fattebert, Coleman Kendrick, Daniel Osei-Kuffuor
2023 J jnl
An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing.
Comput. Phys. Commun.
Adrian S. Sabau, Lang Yuan, Jean-Luc Fattebert, John A. Turner
2023 J jnl
Thermo4PFM: Facilitating Phase-field simulations of alloys with thermodynamic driving forces.
Comput. Phys. Commun.
Jean-Luc Fattebert, Stephen Dewitt, Aurelien Perron, John Turner
2022 J jnl
ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure.
Int. J. High Perform. Comput. Appl.
John A. Turner, James F. Belak, Nathan Barton, Matthew T. Bement, Neil N. Carlson, Robert Carson, Stephen Dewitt, Jean-Luc Fattebert, Neil Eugene Hodge, Zechariah Jibben, Wayne E. King, Lyle Levine, Christopher K. Newman, Alex Plotkowski, Balasubramaniam Radhakrishnan, Samuel Temple Reeve, Matthew Rolchigo, Adrian S. Sabau, Stuart R. Slattery, Benjamin Stump
2021 J jnl
Enabling particle applications for exascale computing platforms.
CoRR
Susan M. Mniszewski, James F. Belak, Jean-Luc Fattebert, Christian F. A. Negre, Stuart R. Slattery, Adetokunbo Adedoyin, Robert F. Bird, Choong-Seock Chang, Guangye Chen, Stéphane Ethier, Shane Fogerty, Salman Habib, Christoph Junghans, Damien Lebrun-Grandié, Jamaludin Mohd-Yusof, Stan G. Moore, Daniel Osei-Kuffuor, Steven J. Plimpton, Adrian Pope, Samuel Temple Reeve, Lee F. Ricketson, Aaron Scheinberg, Amil Y. Sharma, Michael E. Wall
2021 J jnl
Enabling particle applications for exascale computing platforms.
Int. J. High Perform. Comput. Appl.
Susan M. Mniszewski, James F. Belak, Jean-Luc Fattebert, Christian F. A. Negre, Stuart R. Slattery, Adetokunbo A. Adedoyin, Robert F. Bird, Choong-Seock Chang, Guangye Chen, Stéphane Ethier, Shane Fogerty, Salman Habib, Christoph Junghans, Damien Lebrun-Grandié, Jamaludin Mohd-Yusof, Stan G. Moore, Daniel Osei-Kuffuor, Steven J. Plimpton, Adrian Pope, Samuel Temple Reeve, Lee F. Ricketson, Aaron Scheinberg, Amil Y. Sharma, Michael E. Wall
2021 J jnl
Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665).
CoRR
Adetokunbo Adedoyin, Christian F. A. Negre, Jamaludin Mohd-Yusof, Nicolas Bock, Daniel Osei-Kuffuor, Jean-Luc Fattebert, Michael E. Wall, Anders M. N. Niklasson, Susan M. Mniszewski
2020 J jnl
A parallel strategy for density functional theory computations on accelerated nodes.
Parallel Comput.
Massimiliano Lupo Pasini, Bruno Turcksin, Wenjun Ge, Jean-Luc Fattebert
2018 J jnl
The basic matrix library (BML) for quantum chemistry.
J. Supercomput.
Nicolas Bock, Christian F. A. Negre, Susan M. Mniszewski, Jamaludin Mohd-Yusof, Bálint Aradi, Jean-Luc Fattebert, Daniel Osei-Kuffuor, Timothy C. Germann, Anders M. N. Niklasson
2016 A conf
Modeling dilute solutions using first-principles molecular dynamics: computing more than a million atoms with over a million cores.
SC
Jean-Luc Fattebert, Daniel Osei-Kuffuor, Erik W. Draeger, Tadashi Ogitsu, William D. Krauss
2015 — conf
Papillary Muscles Contraction Does Not Change Ventricular Wall Mechanics.
CinC
John Jeremy Rice, Viatcheslav Gurev, James C. Korte, David F. Richards, Jean-Luc Fattebert, Omar Hafez
2014 J jnl
A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations.
SIAM J. Sci. Comput.
Daniel Osei-Kuffuor, Jean-Luc Fattebert
2013 J jnl
Science at LLNL with IBM Blue Gene/Q.
IBM J. Res. Dev.
Brian Carnes, Bor Chan, Erik W. Draeger, Jean-Luc Fattebert, Larry Fried, James N. Glosli, William D. Krauss, Steve H. Langer, Rose McCallen, Arthur A. Mirin, Fady Najjar, Albert L. Nichols, Tomas Oppelstrup, James A. Rathkopf, David F. Richards, Frederick H. Streitz, Pavlos Vranas, John Jeremy Rice, John A. Gunnels, Viatcheslav Gurev, Changhoan Kim, John Magerlein, Matthias Reumann, Hui-Fang Wen
2012 J jnl
Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions.
Comput. Phys. Commun.
Jean-Luc Fattebert, David F. Richards, James N. Glosli
2012 A conf
Toward real-time modeling of human heart ventricles at cellular resolution: simulation of drug-induced arrhythmias.
SC
Arthur A. Mirin, David F. Richards, James N. Glosli, Erik W. Draeger, Bor Chan, Jean-Luc Fattebert, William D. Krauss, Tomas Oppelstrup, John Jeremy Rice, John A. Gunnels, Viatcheslav Gurev, Changhoan Kim, John Magerlein, Matthias Reumann, Hui-Fang Wen
2010 J jnl
A numerical algorithm for the solution of a phase-field model of polycrystalline materials.
J. Comput. Phys.
Milo R. Dorr, Jean-Luc Fattebert, M. E. Wickett, James F. Belak, Patrice E. A. Turchi
2010 J jnl
Accelerated Block Preconditioned Gradient method for large scale wave functions calculations in Density Functional Theory.
J. Comput. Phys.
Jean-Luc Fattebert
2009 A conf
Beyond homogeneous decomposition: scaling long-range forces on Massively Parallel Systems.
SC
David F. Richards, James N. Glosli, Bor Chan, Milo R. Dorr, Erik W. Draeger, Jean-Luc Fattebert, William D. Krauss, Thomas E. Spelce, Frederick H. Streitz, Michael P. Surh, John A. Gunnels
2007 J jnl
Finite element approach for density functional theory calculations on locally-refined meshes.
J. Comput. Phys.
Jean-Luc Fattebert, Richard D. Hornung, Andrew M. Wissink
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