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Jean-Luc Fattebert
Jean-Luc Fattebert
Oak Ridge National Laboratory
Verifisert e-postadresse på ornl.gov
Tittel
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Sitert av
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Modeling of additive manufacturing processes for metals: Challenges and opportunities
MM Francois, A Sun, WE King, NJ Henson, D Tourret, CA Bronkhorst, ...
Current Opinion in Solid State and Materials Science 21 (4), 198-206, 2017
5302017
Mechanical properties, defects and electronic behavior of carbon nanotubes
MB Nardelli, JL Fattebert, D Orlikowski, C Roland, Q Zhao, J Bernholc
Carbon 38 (11-12), 1703-1711, 2000
2682000
Density functional theory for efficient ab initio molecular dynamics simulations in solution
JL Fattebert, F Gygi
Journal of computational chemistry 23 (6), 662-666, 2002
2262002
Towards grid-based density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration
JL Fattebert, J Bernholc
Physical Review B 62 (3), 1713, 2000
2222000
First‐principles molecular dynamics simulations in a continuum solvent
JL Fattebert, F Gygi
International journal of quantum chemistry 93 (2), 139-147, 2003
1732003
real-space method for ab initio quantum transport calculations: Application to carbon nanotube–metal contacts
MB Nardelli, JL Fattebert, J Bernholc
Physical Review B 64 (24), 245423, 2001
1662001
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
DA Scherlis, JL Fattebert, F Gygi, M Cococcioni, N Marzari
The Journal of chemical physics 124 (7), 2006
1602006
Computation of maximally localized Wannier functions using a simultaneous diagonalization algorithm
F Gygi, JL Fattebert, E Schwegler
Computer physics communications 155 (1), 1-6, 2003
1332003
Linear-scaling first-principles molecular dynamics with plane-waves accuracy
JL Fattebert, F Gygi
Physical Review B—Condensed Matter and Materials Physics 73 (11), 115124, 2006
872006
Linear scaling first-principles molecular dynamics with controlled accuracy
JL Fattebert, F Gygi
Computer Physics Communications 162 (1), 24-36, 2004
732004
A high-resolution computational model of the deforming human heart
V Gurev, P Pathmanathan, JL Fattebert, HF Wen, J Magerlein, RA Gray, ...
Biomechanics and modeling in mechanobiology 14, 829-849, 2015
682015
A numerical algorithm for the solution of a phase-field model of polycrystalline materials
MR Dorr, JL Fattebert, ME Wickett, JF Belak, PEA Turchi
Journal of Computational Physics 229 (3), 626-641, 2010
662010
Finite element approach for density functional theory calculations on locally-refined meshes
JL Fattebert, RD Hornung, AM Wissink
Journal of Computational Physics 223 (2), 759-773, 2007
582007
Finite difference schemes and block Rayleigh Quotient Iteration for electronic structure calculations on composite grids
JL Fattebert
Journal of Computational Physics 149 (1), 75-94, 1999
541999
Rapid solidification in bulk Ti-Nb alloys by single-track laser melting
JD Roehling, A Perron, JL Fattebert, T Haxhimali, G Guss, TT Li, D Bober, ...
Jom 70, 1589-1597, 2018
492018
Accurate and Scalable Algorithm for First-Principles Molecular-Dynamics Computations on Large Parallel Computers
D Osei-Kuffuor, JL Fattebert
Physical review letters 112 (4), 046401, 2014
492014
Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input
JL Fattebert, ME Wickett, PEA Turchi
Acta materialia 62, 89-104, 2014
492014
Towards real-time simulation of cardiac electrophysiology in a human heart at high resolution
DF Richards, JN Glosli, EW Draeger, AA Mirin, B Chan, J Fattebert, ...
Computer methods in biomechanics and biomedical engineering 16 (7), 802-805, 2013
492013
Insight into SEI growth in Li-ion batteries using molecular dynamics and accelerated chemical reactions
L Alzate-Vargas, SM Blau, EWC Spotte-Smith, S Allu, KA Persson, ...
The Journal of Physical Chemistry C 125 (34), 18588-18596, 2021
482021
Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions
JL Fattebert, DF Richards, JN Glosli
Computer Physics Communications 183 (12), 2608-2615, 2012
472012
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Artikler 1–20