Jean‐Luc Fattebert

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All published works

Action	Title	Year	Authors
+ PDF Chat	Theory and numerics of subspace approximation of eigenvalue problems	2024	Siu Wun Cheung Young‐Soo Choi Seung Whan Chung Jean‐Luc Fattebert Coleman Kendrick Daniel Osei-Kuffuor
+ PDF Chat	Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels	2024	Jean‐Luc Fattebert Christian F. A. Negre Joshua Finkelstein Jamaludin Mohd-Yusof Daniel Osei-Kuffuor Michael E. Wall Yu Zhang Nicolas Bock Susan M. Mniszewski
+	Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels	2024	Jean‐Luc Fattebert Christian F. A. Negre Joshua M. Finkelstein Jamaludin Mohd-Yusof Daniel Osei-Kuffuor Michael E. Wall Yu Zhang Nicolas Bock Susan M. Mniszewski
+ PDF Chat	Co-design for Particle Applications at Exascale	2024	Samuel Temple Reeve Jean‐Luc Fattebert Stephen DeWitt David C. Joy Pablo Seleson Stuart Slattery Aaron Scheinberg René Halver Christoph Junghans Christian F. A. Negre
+ PDF Chat	A fast, dense Chebyshev solver for electronic structure on GPUs	2023	Joshua Finkelstein Christian F. A. Negre Jean‐Luc Fattebert
+	A fast, dense Chebyshev solver for electronic structure on GPUs	2023	Joshua M. Finkelstein Christian F. A. Negre Jean‐Luc Fattebert
+	A robust solver for wavefunction-based density functional theory calculations*	2022	Jean‐Luc Fattebert
+ PDF Chat	Enabling particle applications for exascale computing platforms	2021	Susan M. Mniszewski J. Belak Jean‐Luc Fattebert Christian F. A. Negre Stuart Slattery Adetokunbo A. Adedoyin Robert Bird C. S. Chang Guangye Chen S. Ethier
+	Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665).	2021	Adetokunbo A. 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
+	A robust solver for wavefunction-based Density Functional Theory calculations	2021	Jean‐Luc Fattebert
+	Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665)	2021	Adetokunbo A. 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
+ PDF Chat	Stacking of oligo- and polythiophene cations in solution: Surface tension and dielectric saturation	2006	Damián A. Scherlis Jean‐Luc Fattebert Nicola Marzari
+	A unified electrostatic and cavitation model for first-principles molecular dynamics in solution	2006	Damián A. Scherlis Jean‐Luc Fattebert François Gygi Matteo Cococcioni Nicola Marzari
+	Optical properties of silicon nanoparticles in the presence of water: A first principles theoretical analysis	2004	David Prendergast Jeffrey C. Grossman Andrew Williamson Jean‐Luc Fattebert Giulia Galli
+	Calculations of Maximally Localized Wannier Functions by Approximate Simultaneous Diagonalization	2003	François Gygi Jean‐Luc Fattebert
+ PDF Chat	Rayleigh Quotient Iteration, an old recipe for solving modern large-scale eigenvalue problems	1998	J. Descloux Jean‐Luc Fattebert F. Gygi Ralf Gruber Jacques Rappaz
+	A block Rayleigh quotient iteration with local quadratic convergence.	1998	Jean‐Luc Fattebert
+	An inverse iteration method using multigrid for quantum chemistry	1996	Jean‐Luc Fattebert

Common Coauthors

Coauthor	Papers Together
Christian F. A. Negre	8
Daniel Osei-Kuffuor	6
Susan M. Mniszewski	6
Michael E. Wall	6
Jamaludin Mohd-Yusof	5
Nicolas Bock	4
Adetokunbo A. Adedoyin	3
Anders M. N. Niklasson	3
Joshua Finkelstein	2
Stuart Slattery	2
J. Belak	2
Yu Zhang	2
Damián A. Scherlis	2
Nicola Marzari	2
Joshua M. Finkelstein	2
Christoph Junghans	2
Aaron Scheinberg	2
Samuel Temple Reeve	2
François Gygi	2
S. Ethier	1
David Prendergast	1
Salman Habib	1
Jeffrey C. Grossman	1
Siu Wun Cheung	1
Stephen DeWitt	1
Coleman Kendrick	1
Robert Bird	1
J. Descloux	1
Ralf Gruber	1
David C. Joy	1
Jacques Rappaz	1
Yu Zhang	1
Lee Ricketson	1
Matteo Cococcioni	1
A. Y. Sharma	1
Pablo Seleson	1
Guangye Chen	1
Young‐Soo Choi	1
Damien Lebrun-Grandié	1
Shane Fogerty	1
Adrian Pope	1
Giulia Galli	1
F. Gygi	1
Stan Moore	1
Andrew Williamson	1
Danny Pérez	1
C. S. Chang	1
René Halver	1
Steven J. Plimpton	1
Seung Whan Chung	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Graph-based linear scaling electronic structure theory	2016	Anders M. N. Niklasson Susan M. Mniszewski Christian F. A. Negre M. J. Cawkwell Pieter J. Swart Jamaludin Mohd-Yusof Timothy C. Germann Michael E. Wall Nicolas Bock Emanuel H. Rubensson	3
+ PDF Chat	Enabling particle applications for exascale computing platforms	2021	Susan M. Mniszewski J. Belak Jean‐Luc Fattebert Christian F. A. Negre Stuart Slattery Adetokunbo A. Adedoyin Robert Bird C. S. Chang Guangye Chen S. Ethier	3
+	A Jacobi–Davidson Iteration Method for Linear Eigenvalue Problems	1996	Gérard L. G. Sleijpen H.A. van der Vorst	2
+ PDF Chat	Real-space adaptive-coordinate electronic-structure calculations	1995	François Gygi Giulia Galli	2
+ PDF Chat	Electronic-Enthalpy Functional for Finite Systems Under Pressure	2005	Matteo Cococcioni Francesco Mauri Gerbrand Ceder Nicola Marzari	2
+	An inverse iteration method using multigrid for quantum chemistry	1996	Jean‐Luc Fattebert	2
+ PDF Chat	Exascale applications: skin in the game	2020	Francis J. Alexander Ann Almgren John B. Bell A. Bhattacharjee Jacqueline Chen Phil Colella David Daniel Jack Deslippe Lori Freitag Diachin Erik W. Draeger	2
+	On the Number of Nonscalar Multiplications Necessary to Evaluate Polynomials	1973	Michael S. Paterson Larry J. Stockmeyer	2
+ PDF Chat	Expansion algorithm for the density matrix	2002	Anders M. N. Niklasson	2
+ PDF Chat	GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems	1986	Yousef Saad Martin H. Schultz	2
+ PDF Chat	Multi-grid methods and applications.	1986	Wolfgang Hackbusch	2
+ PDF Chat	Rayleigh Quotient Iteration, an old recipe for solving modern large-scale eigenvalue problems	1998	J. Descloux Jean‐Luc Fattebert F. Gygi Ralf Gruber Jacques Rappaz	1
+ PDF Chat	Joint Density-Functional Theory: Ab Initio Study of Cr<sub>2</sub>O<sub>3</sub> Surface Chemistry in Solution	2005	Sahak Petrosyan A. A. Rigos T. A. Arias	1
+ PDF Chat	New estimates for Ritz vectors	1997	Andrew Knyazev	1
+ PDF Chat	An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm	2011	Guangye Chen Luis Chacón D. C. Barnes	1
+ PDF Chat	Optimized norm-conserving Vanderbilt pseudopotentials	2013	D. R. Hamann	1
+	The Symmetric Eigenvalue Problem	1998	Beresford Ν. Parlett	1
+	Cracking large-scale eigenvalue problems. Part I. Algorithms	1996	Albert Booten Henk van der Vorst	1
+	Simultaneous rayleigh-quotient minimization methods for Ax=λBx	1980	D.E. Longsine Steve McCormick	1
+	Multigrid Methods for Nearly Singular Linear Equations and Eigenvalue Problems	1997	Zhiqiang Cai Jan Mandel Steve McCormick	1
+ PDF Chat	Implicit purification for temperature-dependent density matrices	2003	Anders M. N. Niklasson	1
+	Multigrid Methods for Differential Eigenproblems	1983	Achi Brandt Steve McCormick J. Ruge	1
+ PDF Chat	Self-Averaging Stochastic Kohn-Sham Density-Functional Theory	2013	Roi Baer Daniel Neuhauser Eran Rabani	1
+	The Numerical Treatment of Differential Equations	1960	Lothar Collatz	1
+ PDF Chat	Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration	2006	Yunkai Zhou Yousef Saad Murilo L. Tiago James R. Chelikowsky	1
+	Principal Angles between Subspaces in an <i>A</i>-Based Scalar Product: Algorithms and Perturbation Estimates	2002	Andrew Knyazev Merico E. Argentati	1
+ PDF Chat	Ensemble Density-Functional Theory for<i>Ab Initio</i>Molecular Dynamics of Metals and Finite-Temperature Insulators	1997	Nicola Marzari David Vanderbilt M. C. Payne	1
+ PDF Chat	Large-scale ab initio calculations based on three levels of parallelization	2007	François Bottin Stéphane Leroux Andrew Knyazev G. Zérah	1
+ PDF Chat	The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation	2002	José M. Soler Emilio Artacho Julian D. Gale Alberto Garcı́a Javier Junquera Pablo Ordejón Daniel Sánchez‐Portal	1
+	L. Collatz, The Numerical Treatment of Differential Equations. XV + 568 S. m. 118 Abb. Berlin/Göttingen/Heidelberg 1959. Springer‐Verlag. Preis geb. 93,60 DM	1961	H. Heinrich	1
+ PDF Chat	An efficient mixed-precision, hybrid CPU–GPU implementation of a nonlinearly implicit one-dimensional particle-in-cell algorithm	2012	G. Chen Luis Chacón D. C. Barnes	1
+	CRKSPH – A Conservative Reproducing Kernel Smoothed Particle Hydrodynamics Scheme	2016	Nicholas Frontiere Cody Raskin J. Michael Owen	1
+ PDF Chat	Sparse grid techniques for particle-in-cell schemes	2016	Lee Ricketson Antoine Cerfon	1
+	Warp-X: A new exascale computing platform for beam–plasma simulations	2018	Jean-Luc Vay Ann Almgren John B. Bell Lixin Ge D.P. Grote Mark Hogan O. Kononenko Rémi Lehe Andrew Myers C. Ng	1
+ PDF Chat	Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The <scp>CheSS</scp> Library	2017	Stephan Mohr William Harbutt Dawson Michael Wagner Damien Caliste Takahito Nakajima Luigi Genovese	1
+ PDF Chat	Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials	2014	Aidan P. Thompson Laura Swiler Christian Robert Trott Stephen M. Foiles Garritt J. Tucker	1
+ PDF Chat	Data-Driven Learning of Total and Local Energies in Elemental Boron	2018	Volker L. Deringer Chris J. Pickard Gábor Cśanyi	1
+ PDF Chat	Stochastic density functional theory at finite temperatures	2018	Yael Cytter Eran Rabani Daniel Neuhauser Roi Baer	1
+ PDF Chat	A fully implicit, conservative, non-linear, electromagnetic hybrid particle-ion/fluid-electron algorithm	2018	Adam Stanier Luis Chacón Guangye Chen	1
+	A semi-implicit, energy- and charge-conserving particle-in-cell algorithm for the relativistic Vlasov-Maxwell equations	2020	Guangye Chen Luis Chacón L. Yin B. J. Albright D. J. Stark Robert Bird	1
+ PDF Chat	An energy-conserving and asymptotic-preserving charged-particle orbit implicit time integrator for arbitrary electromagnetic fields	2020	Lee Ricketson Luis Chacón	1
+ PDF Chat	The Universe at extreme scale: Multi-petaflop sky simulation on the BG/Q	2012	Salman Habib Vitali Morozov Hal Finkel Adrian Pope Katrin Heitmann Kalyan Kumaran Tom Peterka Joe Insley David Daniel Patricia Fasel	1
+	ArborX: A Performance Portable Search Library	2019	Damien Lebrun-Grandié Andrey Prokopenko Bruno Turcksin Stuart Slattery	1
+	The Large-Scale Structure of the Universe	2007		1
+	ELSI — An open infrastructure for electronic structure solvers	2020	Victor Wen‐zhe Yu Carmen Campos William Harbutt Dawson Alberto Garcı́a Ville Havu B. Hourahine William Huhn Mathias Jacquelin Weile Jia Murat Keçeli	1
+	Implementing a neural network interatomic model with performance portability for emerging exascale architectures	2020	Saaketh Desai Samuel Temple Reeve J. Belak	1
+	GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems	2020	Victor Wen‐zhe Yu Jonathan E. Moussa Pavel Kůs Andreas Marek Peter Messmer Mina Yoon Hermann Lederer Volker Blüm	1
+ PDF Chat	Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma	2020	Alexander White L. A. Collins	1
+ PDF Chat	CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations	2020	Thomas D. Kühne Marcella Iannuzzi Mauro Del Ben Vladimir V. Rybkin Patrick Seewald Frederick Stein Teodoro Laino Rustam Z. Khaliullin Ole Schütt Florian Schiffmann	1
+	The CECAM electronic structure library and the modular software development paradigm	2020	Micael J. T. Oliveira Nick Papior Yann Pouillon Volker Blüm Emilio Artacho Damien Caliste Fabiano Corsetti Stefano de Gironcoli Alin M. Elena Alberto Garcı́a	1