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All papers authored by Louis Lagardère

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2024 Frédéric Célerse

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, Louis Lagardère

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, Yasmine Bouchibti

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, Florian Nachon

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, Laurent Verdier, Jean-Philip Piquemal

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, Etienne Derat

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Unveiling the Full Dynamical and Reactivity Profiles of Acetylcholinesterase: A Comprehensive All-Atom Investigation

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2019 Luc-Henri Jolly

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, Alejandro Duran, Louis Lagardère

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, Jay W. Ponder

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, Jean-Philip Piquemal

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Raising the Performance of the Tinker-HP Molecular Modeling Package [Article v1.0]

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2018 Benjamin Stamm

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, Louis Lagardère

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, Étienne Polack, Yvon Maday, Jean-Philip Piquemal

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A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms

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2017 Félix Aviat, Louis Lagardère

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, Jean-Philip Piquemal

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The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces

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2014 Filippo Lipparini, Giovanni Scalmani, Louis Lagardère

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, Benjamin Stamm

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, Eric Cancès, Yvon Maday, Jean-Philip Piquemal, Michael J. Frisch, Benedetta Mennucci

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Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy

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