0000000000977720

AUTHOR

Eric Cancès

Preface for MMM 2016 focus issue

International audience

research product

A new discretization for the polarizable continuum model within the domain decomposition paradigm

International audience; We present a new algorithm to solve the polarizable continuum model equation in a framework compatible with the strategy previously developed by us for the conductor-like screening model based on Schwarz’s domain decomposition method (ddCOSMO). The new discretization is systematically improvable and is fully consistent with ddCOSMO so that it reproduces ddCOSMO results for large dielectric constants.

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