Change point detection of events in molecular simulations using dupin-Reference-Cited by-同舟云学术

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Change point detection of events in molecular simulations using dupin

Published:2024-11 Issue: Volume:304 Page:109297
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Butler Brandon L.,Fijan Domagoj^ORCID,Glotzer Sharon C.^ORCID

Publisher

Elsevier BV

Reference58 articles.

1. Routine million-particle simulations of epoxy curing with dissipative particle dynamics;Thomas;J. Theor. Comput. Chem.,2018

2. Scalable screening of soft matter: a case study of mixtures of ionic liquids and organic solvents;Thompson;J. Phys. Chem. B,2019

3. Simple data and workflow management with the signac framework;Adorf;Comput. Mater. Sci.,2018

4. AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance;Huber;Sci. Data,2020

5. Freud: a software suite for high throughput analysis of particle simulation data;Ramasubramani;Comput. Phys. Commun.,2020

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