Publications related to Scientific workflow system

Data and Workflow to: Three-dimensional buoyant hydraulic fractures: finite volume release (Möri and Lecampion, (2023))

Brice Tanguy Alphonse Lecampion, Andreas Möri

This upload contains the relevant scripts, notebooks, and datasets to reproduce the numerically obtained results of the Journal article "Three-dimensional buoyant hydraulic fractures: finite volume release" by Möri and Lecampion, (2023). ...

EPFL Infoscience2023

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Susana Garcia Lopez, Elias Moubarak, Seyedmohamad Moosavi

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

Giovanni Pizzi, Antimo Marrazzo, Junfeng Qiao, Miki Bonacci, Andrea Ferretti

The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired physical properties. In this work, we propose algorithms and implementations ...

NATURE PORTFOLIO2023

AiiDA-defects: an automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials

Nicola Marzari, Sokseiha Muy, Conrad Johnston

Functional materials that enable many technological applications in our everyday lives owe their unique properties to defects that are carefully engineered and incorporated into these materials during processing. However, optimizing and characterizing thes ...

IOP Publishing Ltd2023

Interactive design with optimum matchmaking of reused structural elements – a software implementation

Corentin Jean Dominique Fivet, Jonas Warmuth, Jan Friedrich Georg Brütting

Structural systems are a significant contributor to buildings’ embodied carbon and reusing structural elements in new load-bearing applications is one strategy to reduce this impact. However, integrating this approach into existing design workflows without ...

International Association for Shell and Spatial Structures (IASS)2023

Data and Workflow to: Three-dimensional buoyant hydraulic fracture growth: constant release from a point source (Möri and Lecampion, (2022))

Brice Tanguy Alphonse Lecampion, Andreas Möri

This upload contains the relevant scripts, notebooks, and datasets to reproduce the numerically obtained results of the Journal article "Three-dimensional buoyant hydraulic fracture growth: constant release from a point source" by Möri and Lecampion, (2022 ...

2022

Combining hypothesis- and data-driven neuroscience modeling in FAIR workflows

Daniel Keller

Modeling in neuroscience occurs at the intersection of different points of view and approaches. Typically, hypothesis-driven modeling brings a question into focus so that a model is constructed to investigate a specific hypothesis about how the system work ...

eLIFE SCIENCES PUBL LTD2022

A Collaborative Workflow to Automate the Design, Analysis, and Construction of Integrally-Attached Timber Plate Structures

Yves Weinand, Petras Vestartas, Nicolas Henry Pierre Louis Rogeau, Aryan Rezaei Rad, Pierre Latteur

This paper introduces a computational framework that fosters collaboration between architects, engineers, and contractors by bridging the gap between architectural design, structural analysis, and digital construction. The present research is oriented towa ...

CAADRIA2022

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Scientific workflow system

Orchestrating chromosome conformation capture analysis with Bioconductor

Data and Workflow to: Three-dimensional buoyant hydraulic fractures: finite volume release (Möri and Lecampion, (2023))

Building a Knowledge Graph of Chinese Kung Fu Masters From Heterogeneous Bilingual Data

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

AiiDA-defects: an automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials

Interactive design with optimum matchmaking of reused structural elements – a software implementation

Data and Workflow to: Three-dimensional buoyant hydraulic fracture growth: constant release from a point source (Möri and Lecampion, (2022))

Combining hypothesis- and data-driven neuroscience modeling in FAIR workflows

A Collaborative Workflow to Automate the Design, Analysis, and Construction of Integrally-Attached Timber Plate Structures

Graph Chatbot

Chat with Graph Search

Building a Knowledge Graph of Chinese Kung Fu Masters From Heterogeneous Bilingual Data

Data and Workflow to: Three-dimensional buoyant hydraulic fractures: finite volume release (Möri and Lecampion, (2023))

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Orchestrating chromosome conformation capture analysis with Bioconductor

Data and Workflow to: Three-dimensional buoyant hydraulic fracture growth: constant release from a point source (Möri and Lecampion, (2022))

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

A Collaborative Workflow to Automate the Design, Analysis, and Construction of Integrally-Attached Timber Plate Structures

AiiDA-defects: an automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials

Interactive design with optimum matchmaking of reused structural elements – a software implementation

Combining hypothesis- and data-driven neuroscience modeling in FAIR workflows