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Effective resistance of random percolating networks of stick nanowires: Functional dependence on elementary physical parameters

Robert Benda , Eric Cancès , Bérengère Lebental
Journal of Applied Physics, 2019, 126 (4), pp.044306. ⟨10.1063/1.5108575⟩
Journal articles hal-02281362v1

A posteriori error estimation for the non-self-consistent Kohn-Sham equations

Michael F. Herbst , Antoine Levitt , Eric Cancès
Faraday Discussions, 2020, 224, pp.227-246. ⟨10.1039/D0FD00048E⟩
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 of Chemical Physics, 2020, 152 (6), pp.064708. ⟨10.1063/1.5133634⟩
Journal articles hal-02502707v1

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
Numerische Mathematik, 2018, 140 (4), pp.1033-1079. ⟨10.1007/s00211-018-0984-0⟩
Journal articles hal-01483461v3
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A mathematical perspective on density functional perturbation theory

Eric Cancès , Nahia Mourad
Nonlinearity, 2014, 27 (9), pp.1999-2033. ⟨10.1088/0951-7715/27/9/1999⟩
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 of Computational Physics, 2016, 307, pp.446-459. ⟨10.1016/⟩
Journal articles hal-01140818v2

Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives

Filippo Lipparini , Yvon Maday , Benjamin Stamm , Eric Cancès , Benedetta Mennucci
Journal of Chemical Theory and Computation, 2013, 9, pp.3637-3648. ⟨10.1021/ct400280b⟩
Journal articles hal-00956397v1

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 of Physical Chemistry Letters, 2014, 5, pp.953-958. ⟨10.1021/jz5002506⟩
Journal articles hal-00956401v1

An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation

Eric Cancès , Virginie Ehrlacher , Frédéric Legoll , Benjamin Stamm
Comptes Rendus. Mathématique, 2015, 353 (9), pp.801-806. ⟨10.1016/j.crma.2015.06.019⟩
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
Mathematics of Computation, 2020, 89 (326), pp.2563-2611. ⟨10.1090/mcom/3549⟩
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

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 of Chemical Theory and Computation, 2014, 10 (4), pp.1638-1651. ⟨10.1021/ct401096t⟩
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.
Numerische Mathematik, 2005, 100 (2), pp.211--232. ⟨10.1007/s00211-005-0599-0⟩
Journal articles hal-00798337v1
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On Kohn-Sham models with LDA and GGA exchange-correlation functionals

Arnaud Anantharaman , Eric Cancès
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

A variational formulation of the polarizable continuum model

Filippo Lipparini , Giovanni Scalmani , Benedetta Mennucci , Eric Cancès , Marco Caricato , et al.
Journal of Chemical Physics, 2010, 133 (1), pp.014106. ⟨10.1063/1.3454683⟩
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

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
IMA Journal of Numerical Analysis, 2021, 41 (4), pp.2423-2455. ⟨10.1093/imanum/draa044⟩
Journal articles hal-01908039v4

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 of Chemical Physics, 2014, 141 (18), pp.184108. ⟨10.1063/1.4901304⟩
Journal articles hal-01090954v1

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

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

Polarizable Molecular Dynamics in a Polarizable Continuum Solvent

Filippo Lipparini , Louis Lagardère , Christophe Raynaud , Benjamin Stamm , Eric Cancès , et al.
Journal of Chemical Theory and Computation, 2015, 11 (2), pp.623-634. ⟨10.1021/ct500998q⟩
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 of Mathematical Physics, 2017, 58 (6), pp.1-29. ⟨10.1063/1.4984041⟩
Journal articles hal-01403588v2
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Discretization error cancellation in electronic structure calculation: toward a quantitative study

Eric Cancès , Geneviève Dusson
ESAIM: Mathematical Modelling and Numerical Analysis, 2017, 51 (5), pp. 1617 - 1636. ⟨10.1051/m2an/2017035⟩
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
IMA Journal of Numerical Analysis, 2017, 40p. ⟨10.1093/imanum/drw053⟩
Journal articles hal-01652289v1