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Jean-Luc Fattebert
Jean-Luc Fattebert
Verified email at ornl.gov
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Year
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
4642017
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
2632000
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
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
2162002
First‐principles molecular dynamics simulations in a continuum solvent
JL Fattebert, F Gygi
International journal of quantum chemistry 93 (2), 139-147, 2003
1652003
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
1652001
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
1522006
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
1262003
Linear-scaling first-principles molecular dynamics with plane-waves accuracy
JL Fattebert, F Gygi
Physical Review B 73 (11), 115124, 2006
892006
Linear scaling first-principles molecular dynamics with controlled accuracy
JL Fattebert, F Gygi
Computer Physics Communications 162 (1), 24-36, 2004
742004
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
652015
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
612010
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
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
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
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
471999
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
452014
A wrench in the works of human acetylcholinesterase: Soman induced conformational changes revealed by molecular dynamics simulations
BJ Bennion, SG Essiz, EY Lau, JL Fattebert, A Emigh, FC Lightstone
PLoS One 10 (4), e0121092, 2015
442015
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
442012
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
422018
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