About: Towards the modeling of atomic and molecular clusters energy by support vector regression

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Simulations of molecular dynamics play an important role in computational chemistry and physics. Such simulations require accurate information about the state and properties of interacting systems. The computation of water cluster potential energy surface is a complex and computationally expensive operation. Therefore, machine learning methods such as Artificial Neural Networks have been recently employed to machine-learn and further approximate clusters potential energy surfaces. This works presents the application of another highly successful machine learning method, the Support Vector Regression, for the modeling and approximation of the potential energy of water clusters as representatives of more general molecular clusters. Simulations of molecular dynamics play an important role in computational chemistry and physics. Such simulations require accurate information about the state and properties of interacting systems. The computation of water cluster potential energy surface is a complex and computationally expensive operation. Therefore, machine learning methods such as Artificial Neural Networks have been recently employed to machine-learn and further approximate clusters potential energy surfaces. This works presents the application of another highly successful machine learning method, the Support Vector Regression, for the modeling and approximation of the potential energy of water clusters as representatives of more general molecular clusters. (en)
Title	Towards the modeling of atomic and molecular clusters energy by support vector regression Towards the modeling of atomic and molecular clusters energy by support vector regression (en)
skos:prefLabel	Towards the modeling of atomic and molecular clusters energy by support vector regression Towards the modeling of atomic and molecular clusters energy by support vector regression (en)
skos:notation	RIV/61989100:27740/13:86088020!RIV14-MSM-27740___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0070), P(EE.2.3.20.0073), P(EE2.3.30.0055), P(LM2011033), S
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Vítek, Aleš Snášel, Václav Stachoň, Martin
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola báňská - Technická univerzita Ostrava / IT4Innovations
http://linked.open...dnocenehoVysledku	111400
http://linked.open...ai/riv/idVysledku	RIV/61989100:27740/13:86088020
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Water energy modeling; Support vector regression; Experiments (en)
http://linked.open.../riv/klicoveSlovo	Experiments Support vector regression Water energy modeling
http://linked.open...ontrolniKodProRIV	[94E37D0AAE70]
http://linked.open...v/mistoKonaniAkce	Xi'an
http://linked.open...i/riv/mistoVydani	Danvers
http://linked.open...i/riv/nazevZdroje	Proceedings - 5th International Conference on Intelligent Networking and Collaborative Systems, INCoS 2013
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	New creative teams in priorities of scientific research The support of the participation in the PRACE initiative and the access of the academic community and the industry of the Czech Republic to HPC resources at the European level Bio-Inspired Methods: research, development and knowledge transfer IT4Innovations Centre of Excellence
http://linked.open...UplatneniVysledku	2013
http://linked.open...iv/tvurceVysledku	Krömer, Pavel Snášel, Václav Stachoň, Martin Vítek, Aleš
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2013-09-09 (xsd:date)
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1109/INCoS.2013.26
http://purl.org/ne...btex#hasPublisher	IEEE
https://schema.org/isbn	978-0-7695-4988-0
http://localhost/t...ganizacniJednotka	27740

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