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ddX: Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 17 Jun 2022 English Publisher:Zenodo
Authors: Mikhalev, Aleksandr; Nottoli, Michele; Stamm, Benjamin;

doi: 10.5281/zenodo.6656429 , 10.5281/zenodo.6656428

ddX: Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

Abstract

This entry provides all relevant software and data to reproduce the results presented in the manuscript entitled "Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method" by A. Mikhalev, M. Nottoli, and B. Stamm.

AM and BS are acknowledging support by the German Research Foundation (DFG) under project 440641818. MN acknowledges financial support from Gaussian, Inc.

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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