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MiMiC: A Framework for Multiscale Modeling in Computational Chemistry

Authors: Olsen, Jógvan Magnus Haugaard; Bolnykh, Viacheslav; Meloni, Simone; Ippoliti, Emiliano; Carloni, Paolo; Röthlisberger, Ursula;

MiMiC: A Framework for Multiscale Modeling in Computational Chemistry

Abstract

{"references": ["J. M. H. Olsen, V. Bolnykh, S. Meloni, E. Ippoliti, M. P. Bircher, P. Carloni, U. Rothlisberger, \"MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry\", J. Chem. Theory Comput. 15, 3810\u20133823 (2019). DOI: 10.1021/acs.jctc.9b00093", "V. Bolnykh, J. M. H. Olsen, S. Meloni, M. P. Bircher, E. Ippoliti, P. Carloni, U. Rothlisberger, \"Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC\", J. Chem. Theory Comput. 15, 5601\u20135613 (2019). DOI: 10.1021/acs.jctc.9b00424"]}

MiMiC is a framework for the development of multiscale models and for running multiscale simulations related to computational chemistry. The goal is to enable flexible implementations of multiscale models with support for multiple subsystems that each can be described at different resolutions and levels of theory. For more information please visit https://mimic-project.org/.

Keywords

multiscale modeling, multiscale simulation, QM/MM, multiscale modeling, QM/MM, multiscale simulation

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popularity
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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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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