Visualization in the integrated SimPhoNy multiscale simulation framework

Joan Adler; Sampo Kulju; Jari Hyväluoma; Keijo Mattila; Kit Choi; Ioannis Tziakos; Didrik Pinte; G. A. García; Y. Makushok; V. Makushok; J. Lama; G. Román-Pérez; Adham Hashibon; Mehdi Sadeghi; Nathan Franklin; Amihai Silverman

doi:10.1016/j.cpc.2018.05.005

Visualization in the integrated SimPhoNy multiscale simulation framework

Joan Adler, Sampo Kulju, Jari Hyväluoma, Keijo Mattila, Kit Choi, Ioannis Tziakos, Didrik Pinte, G. A. García, Y. Makushok, V. Makushok, J. Lama, G. Román-Pérez, Adham Hashibon, Mehdi Sadeghi, Nathan Franklin, Amihai Silverman

Research output: Contribution to journal › Article › Scientific › peer-review

1 Citation (Scopus)

Abstract

We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.

Original language	English
Pages (from-to)	45-61
Number of pages	17
Journal	Computer Physics Communications
Volume	231
DOIs	https://doi.org/10.1016/j.cpc.2018.05.005
Publication status	Published - 1 Oct 2018
Publication type	A1 Journal article-refereed

Keywords

Atomistic
Electronic charge density
Fluid
Visualization

Publication forum classification

Publication forum level 1

ASJC Scopus subject areas

Hardware and Architecture
General Physics and Astronomy

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10.1016/j.cpc.2018.05.005

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Adler, J., Kulju, S., Hyväluoma, J., Mattila, K., Choi, K., Tziakos, I., Pinte, D., García, G. A., Makushok, Y., Makushok, V., Lama, J., Román-Pérez, G., Hashibon, A., Sadeghi, M., Franklin, N., & Silverman, A. (2018). Visualization in the integrated SimPhoNy multiscale simulation framework. Computer Physics Communications, 231, 45-61. https://doi.org/10.1016/j.cpc.2018.05.005

@article{719061cfa5f64a0385f3ec20d2f3a298,

title = "Visualization in the integrated SimPhoNy multiscale simulation framework",

abstract = "We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.",

keywords = "Atomistic, Electronic charge density, Fluid, Visualization",

author = "Joan Adler and Sampo Kulju and Jari Hyv{\"a}luoma and Keijo Mattila and Kit Choi and Ioannis Tziakos and Didrik Pinte and Garc{\'i}a, {G. A.} and Y. Makushok and V. Makushok and J. Lama and G. Rom{\'a}n-P{\'e}rez and Adham Hashibon and Mehdi Sadeghi and Nathan Franklin and Amihai Silverman",

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year = "2018",

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doi = "10.1016/j.cpc.2018.05.005",

language = "English",

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journal = "Computer Physics Communications",

issn = "0010-4655",

publisher = "Elsevier B.V.",

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Adler, J, Kulju, S, Hyväluoma, J, Mattila, K, Choi, K, Tziakos, I, Pinte, D, García, GA, Makushok, Y, Makushok, V, Lama, J, Román-Pérez, G, Hashibon, A, Sadeghi, M, Franklin, N & Silverman, A 2018, 'Visualization in the integrated SimPhoNy multiscale simulation framework', Computer Physics Communications, vol. 231, pp. 45-61. https://doi.org/10.1016/j.cpc.2018.05.005

TY - JOUR

T1 - Visualization in the integrated SimPhoNy multiscale simulation framework

AU - Adler, Joan

AU - Kulju, Sampo

AU - Hyväluoma, Jari

AU - Mattila, Keijo

AU - Choi, Kit

AU - Tziakos, Ioannis

AU - Pinte, Didrik

AU - García, G. A.

AU - Makushok, Y.

AU - Makushok, V.

AU - Lama, J.

AU - Román-Pérez, G.

AU - Hashibon, Adham

AU - Sadeghi, Mehdi

AU - Franklin, Nathan

AU - Silverman, Amihai

N1 - EXT="Kulju, Sampo"

PY - 2018/10/1

Y1 - 2018/10/1

N2 - We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.

AB - We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.

KW - Atomistic

KW - Electronic charge density

KW - Fluid

KW - Visualization

U2 - 10.1016/j.cpc.2018.05.005

DO - 10.1016/j.cpc.2018.05.005

M3 - Article

AN - SCOPUS:85047534237

SN - 0010-4655

VL - 231

SP - 45

EP - 61

JO - Computer Physics Communications

JF - Computer Physics Communications

ER -

Visualization in the integrated SimPhoNy multiscale simulation framework

Abstract

Keywords

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ASJC Scopus subject areas

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