Effective resistance of random percolating networks of stick nanowires: Functional dependence on elementary physical parameters
Robert Benda
,
Eric Cancès
,
Bérengère Lebental
Journal articles
hal-02281362v1
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A posteriori error estimation for the non-self-consistent Kohn-Sham equations
Michael F. Herbst
,
Antoine Levitt
,
Eric Cancès
Journal articles
hal-02557871v1
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Insights into the $\pi$ - $\pi$ interaction driven non-covalent functionalization of carbon nanotubes of various diameters by conjugated fluorene and carbazole copolymers
Robert Benda
,
Gaël Zucchi
,
Eric Cancès
,
Bérengère Lebental
Journal articles
hal-02502707v1
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Greedy algorithms for high-dimensional non-symmetric linear problems
Eric Cancès
,
Virginie Ehrlacher
,
Tony Lelièvre
ESAIM: Proceedings and Surveys , 2013, CANUM 2012, 41e Congrès National d'Analyse Numérique 41, pp.95 - 131.
⟨10.1051/proc/201341005⟩
Journal articles
hal-00745611v1
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Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework
Eric Cancès
,
Geneviève Dusson
,
Yvon Maday
,
Benjamin Stamm
,
Martin Vohralík
Journal articles
hal-01483461v3
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A mathematical perspective on density functional perturbation theory
Eric Cancès
,
Nahia Mourad
Journal articles
hal-00952732v2
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A perturbation-method-based post-processing for the planewave discretization of Kohn–Sham models
Eric Cancès
,
Geneviève Dusson
,
Yvon Maday
,
Benjamin Stamm
,
Martin Vohralík
Journal articles
hal-01140818v2
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Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives
Filippo Lipparini
,
Yvon Maday
,
Benjamin Stamm
,
Eric Cancès
,
Benedetta Mennucci
Journal articles
hal-00956397v1
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Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach
Filippo Lipparini
,
Louis Lagardère
,
Giovanni Scalmani
,
Benjamin Stamm
,
Eric Cancès
,
et al.
Journal articles
hal-00956401v1
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An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation
Eric Cancès
,
Virginie Ehrlacher
,
Frédéric Legoll
,
Benjamin Stamm
Journal articles
hal-01100681v1
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Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters
Eric Cancès
,
Geneviève Dusson
,
Yvon Maday
,
Benjamin Stamm
,
Martin Vohralík
Journal articles
hal-02127954v3
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Convergence analysis of direct minimization and self-consistent iterations
Eric Cancès
,
Gaspard Kemlin
,
Antoine Levitt
SIAM Journal on Matrix Analysis and Applications , 2021, 42 (1), 243-274 (32 p.).
⟨10.1137/20M1332864⟩
Journal articles
hal-02546060v2
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Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: I. Toward Massively Parallel Direct Space Computations
Filippo Lipparini
,
Louis Lagardère
,
Benjamin Stamm
,
Eric Cancès
,
Michael Schnieders
,
et al.
Journal articles
hal-01090942v1
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Long-time averaging for integrable Hamiltonian dynamics
Eric Cancès
,
François Castella
,
Philippe Chartier
,
Erwan Faou
,
Frédéric Legoll
,
et al.
Journal articles
hal-00798337v1
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On Kohn-Sham models with LDA and GGA exchange-correlation functionals
Arnaud Anantharaman
,
Eric Cancès
2008
Preprints, Working Papers, ...
inria-00325660v1
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Non-perturbative embedding of local defects in crystalline materials
Eric Cancès
,
Amélie Deleurence
,
Mathieu Lewin
Journal of Physics: Condensed Matter , 2008, 20, pp.294213
Journal articles
hal-00152223v2
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The Microscopic Origin of the Macroscopic Dielectric Permittivity of Crystals: A Mathematical Viewpoint
Eric Cancès
,
Mathieu Lewin
,
Gabriel Stoltz
Björn Engquist, Olof Runborg and Yen-Hsi R. Tsai.
Numerical Analysis of Multiscale Computations. Proceedings of a Winter Workshop at the Banff International Research Station 2009 , Springer, pp.87--125, 2011, Lecture Notes in Computational Science and Engineering,
⟨10.1007/978-3-642-21943-6⟩
Book sections
hal-00527022v1
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A variational formulation of the polarizable continuum model
Filippo Lipparini
,
Giovanni Scalmani
,
Benedetta Mennucci
,
Eric Cancès
,
Marco Caricato
,
et al.
Journal articles
hal-00674585v1
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Numerical methods for computing ROHF ground states. Part I: SCF algorithms
Robert Benda
,
Laurent Vidal
,
Emmanuel Giner
,
Eric Cancès
In press
Preprints, Working Papers, ...
hal-03228618v2
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Exact simulation of hybrid stochastic and deterministic models for biochemical systems
Aurélien Alfonsi
,
Eric Cancès
,
Gabriel Turinici
,
Barbara Di Ventura
,
Wilhelm Huisinga
[Research Report] RR-5435, INRIA. 2004, pp.20
Reports
inria-00070572v1
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Well-posedness of a multiscale model for concentrated suspensions
Eric Cancès
,
Isabelle Catto
,
Yousra Gati
,
Claude Le Bris
Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal , 2005, 4 issue 4, pp.1041-1058
Journal articles
hal-00122454v1
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Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators
Eric Cancès
,
Geneviève Dusson
,
Yvon Maday
,
Benjamin Stamm
,
Martin Vohralík
Journal articles
hal-01908039v4
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Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy
Filippo Lipparini
,
Giovanni Scalmani
,
Louis Lagardère
,
Benjamin Stamm
,
Eric Cancès
,
et al.
Journal articles
hal-01090954v1
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Local Exchange Potentials for Electronic Structure Calculations
Eric Cancès
,
Gabriel Stoltz
,
Gustavo E. Scuseria
,
Viktor N. Staroverov
,
Ernest R. Davidson
MathematicS In Action , 2009, 2 (1), pp.1-42
Journal articles
hal-00186926v1
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Computing electronic structures: a new multiconfiguration approach for excited states
Eric Cancès
,
Hervé Galicher
,
Mathieu Lewin
Journal of Computational Physics , 2006, 212, pp.73--98
Journal articles
hal-00093538v1
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Analysis of a quadratic programming decomposition algorithm
William Hager
,
Guy Bencteux
,
Eric Cancès
,
Claude Le Bris
[Research Report] RR-6288, INRIA. 2007
Reports
inria-00169080v5
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Polarizable Molecular Dynamics in a Polarizable Continuum Solvent
Filippo Lipparini
,
Louis Lagardère
,
Christophe Raynaud
,
Benjamin Stamm
,
Eric Cancès
,
et al.
Journal articles
hal-01114784v1
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Generalized Kubo Formulas for the Transport Properties of Incommensurate 2D Atomic Heterostructures
Eric Cancès
,
Paul Cazeaux
,
Mitchell Luskin
Journal articles
hal-01403588v2
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Discretization error cancellation in electronic structure calculation: toward a quantitative study
Eric Cancès
,
Geneviève Dusson
Journal articles
hal-01435054v2
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Two-grid methods for a class of nonlinear elliptic eigenvalue problems
Eric Cancès
,
Rachida Chakir
,
Linhua He
,
Yvon Maday
Journal articles
hal-01652289v1
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