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Jean-Luc Fattebert
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Journal Articles
- 2023
- [j14]Adrian S. Sabau
, Lang Yuan
, Jean-Luc Fattebert
, John A. Turner:
An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing. Comput. Phys. Commun. 284: 108605 (2023) - [j13]Jean-Luc Fattebert
, Stephen Dewitt, Aurelien Perron
, John Turner:
Thermo4PFM: Facilitating Phase-field simulations of alloys with thermodynamic driving forces. Comput. Phys. Commun. 288: 108739 (2023) - 2022
- [j12]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:
ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure. Int. J. High Perform. Comput. Appl. 36(1): 13-39 (2022) - 2021
- [j11]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
:
Enabling particle applications for exascale computing platforms. Int. J. High Perform. Comput. Appl. 35(6): 572-597 (2021) - 2020
- [j10]Massimiliano Lupo Pasini
, Bruno Turcksin, Wenjun Ge
, Jean-Luc Fattebert
:
A parallel strategy for density functional theory computations on accelerated nodes. Parallel Comput. 100: 102703 (2020) - 2018
- [j9]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:
The basic matrix library (BML) for quantum chemistry. J. Supercomput. 74(11): 6201-6219 (2018) - 2014
- [j8]Daniel Osei-Kuffuor
, Jean-Luc Fattebert
:
A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations. SIAM J. Sci. Comput. 36(4) (2014) - 2013
- [j7]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:
Science at LLNL with IBM Blue Gene/Q. IBM J. Res. Dev. 57(1/2): 11 (2013) - 2012
- [j6]Jean-Luc Fattebert
, David F. Richards, James N. Glosli:
Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions. Comput. Phys. Commun. 183(12): 2608-2615 (2012) - 2010
- [j5]Jean-Luc Fattebert
:
Accelerated Block Preconditioned Gradient method for large scale wave functions calculations in Density Functional Theory. J. Comput. Phys. 229(2): 441-452 (2010) - [j4]Milo R. Dorr, Jean-Luc Fattebert
, M. E. Wickett, James F. Belak
, Patrice E. A. Turchi:
A numerical algorithm for the solution of a phase-field model of polycrystalline materials. J. Comput. Phys. 229(3): 626-641 (2010) - 2007
- [j3]Jean-Luc Fattebert
, Richard D. Hornung, Andrew M. Wissink:
Finite element approach for density functional theory calculations on locally-refined meshes. J. Comput. Phys. 223(2): 759-773 (2007) - 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)
Conference and Workshop Papers
- 2016
- [c4]Jean-Luc Fattebert
, Daniel Osei-Kuffuor
, Erik W. Draeger, Tadashi Ogitsu
, William D. Krauss:
Modeling dilute solutions using first-principles molecular dynamics: computing more than a million atoms with over a million cores. SC 2016: 12-22 - 2015
- [c3]John Jeremy Rice, Viatcheslav Gurev, James C. Korte
, David F. Richards, Jean-Luc Fattebert
, Omar Hafez
:
Papillary Muscles Contraction Does Not Change Ventricular Wall Mechanics. CinC 2015: 333-336 - 2012
- [c2]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:
Toward real-time modeling of human heart ventricles at cellular resolution: simulation of drug-induced arrhythmias. SC 2012: 2 - 2009
- [c1]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:
Beyond homogeneous decomposition: scaling long-range forces on Massively Parallel Systems. SC 2009
Informal and Other Publications
- 2021
- [i2]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:
Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665). CoRR abs/2102.08505 (2021) - [i1]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:
Enabling particle applications for exascale computing platforms. CoRR abs/2109.09056 (2021)
Coauthor Index
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