nanoHUB.org: cloud-based services for nanoscale modeling, simulation, and education

Madhavan, Krishna; Zentner, Lynn; Farnsworth, Victoria; Shivarajapura, Swaroop; Zentner, Michael; Denny, Nathan; Klimeck, Gerhard

doi:10.1515/nano.0034.00034

Cited by 16 publications

(21 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…nanoHUB [5,6] is a cyber-infrastructure project that enables cloud scientific computing; users can run fully interactive simulations using a standard web-browser or iPad app without the need to download and install any software.…”

Section: Puq On Hubzero and Nanohubmentioning

confidence: 99%

“…PUQ was designed with ease of use and non-intrusiveness in mind. We also introduce nanoPLASTICITY [4], a tool for online simulations in nanoHUB [5,6] that uses PUQ to drive a phase field simulator of dislocation dynamics. nanoPLASTICITY users can specify inputs as single values or probability distributions and the tool automatically propagates uncertainties and displays results in a graphical and fully interactive manner.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

PUQ: A code for non-intrusive uncertainty propagation in computer simulations

Hunt

Haley

McLennan

et al. 2015

Computer Physics Communications

View full text Add to dashboard Cite

a b s t r a c tWe present a software package for the non-intrusive propagation of uncertainties in input parameters through computer simulation codes or mathematical models and associated analysis; we demonstrate its use to drive micromechanical simulations using a phase field approach to dislocation dynamics. The PRISM uncertainty quantification framework (PUQ) offers several methods to sample the distribution of input variables and to obtain surrogate models (or response functions) that relate the uncertain inputs with the quantities of interest (QoIs); the surrogate models are ultimately used to propagate uncertainties. PUQ requires minimal changes in the simulation code, just those required to annotate the QoI(s) for its analysis. Collocation methods include Monte Carlo, Latin Hypercube and Smolyak sparse grids and surrogate models can be obtained in terms of radial basis functions and via generalized polynomial chaos. PUQ uses the method of elementary effects for sensitivity analysis in Smolyak runs. The code is available for download and also available for cloud computing in nanoHUB. PUQ orchestrates runs of the nanoPLASTICITY tool at nanoHUB where users can propagate uncertainties in dislocation dynamics simulations using simply a web browser, without downloading or installing any software. Program summaryProgram title: PUQ Catalogue identifier: AEWP_v1_0Program summary URL: Solution method: Generalized Polynomial Chaos (gPC) using Smolyak sparse grids.Running time: PUQ performs uncertainty quantification and sensitivity analysis by running a simulation multiple times using different values for input parameters. Its run time will be the product of the run time of the chosen simulation code and the number of runs required to achieve the desired accuracy.

show abstract

Section: Puq On Hubzero and Nanohubmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

PUQ: A code for non-intrusive uncertainty propagation in computer simulations

Hunt

Haley

McLennan

et al. 2015

Computer Physics Communications

View full text Add to dashboard Cite

show abstract

“…Table 12-1 shows gateway users varying between 10,000 and 12,000 in 2017, about four times higher than active users at the command line. There are also many successful gateways that do not need high-end computing, for example, the vast majority of the more than a million nanoHUB users [31], for which such metrics would not be appropriate.…”

Section: The Impact Of Science Gatewaysmentioning

confidence: 99%

The global impact of science gateways, virtual research environments and virtual laboratories

Barker

Olabarriaga

Wilkins‐Diehr

et al. 2019

Future Generation Computer Systems

View full text Add to dashboard Cite

Science gateways, virtual laboratories and virtual research environments are all terms used to refer to community-developed digital environments that are designed to meet a set of needs for a research community. Specifically, they refer to integrated access to research community resources including software, data, collaboration tools, workflows, instrumentation and high-performance computing, usually via Web and mobile applications. Science gateways, virtual laboratories and virtual research environments are enabling significant contributions to many research domains, facilitating more efficient, open, reproducible research in bold

show abstract

“…Several different models are provided related to materials design and educational courses at a variety of educational institutions, highlighting the power of a cyberinfrastructure to enable the sharing of expertise and educational tools among educators. Similarly, the nanoHUB [8] based at Purdue University contains a large number of computational tools, lectures, and other resources in the area of nanoscience and nonotechnology, with a particular strength in the area of electronic devices.…”

Section: Reviewmentioning

confidence: 99%

Role of cyberinfrastructure in educating the next generation of computational materials scientists

Sinnott

2014

Integr Mater Manuf Innov

View full text Add to dashboard Cite

An overview of cyberinfrastructures developed to advance the field of materials modeling is presented. The role of cyberinfrastructures in educating the next generation of the workforce is also discussed, with an emphasis on the Cyberinfrastructure for Atomistic Simulation (CAMS). The paper concludes with a summary regarding the future outlook of cyberinfrastructures, especially with regard to education.

show abstract

nanoHUB.org: cloud-based services for nanoscale modeling, simulation, and education

Cited by 16 publications

References 0 publications

PUQ: A code for non-intrusive uncertainty propagation in computer simulations

PUQ: A code for non-intrusive uncertainty propagation in computer simulations

The global impact of science gateways, virtual research environments and virtual laboratories

Role of cyberinfrastructure in educating the next generation of computational materials scientists

Contact Info

Product

Resources

About