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koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Giovanni Borghi, Ngoc Linh Nguyen, Riccardo De Gennaro, Andrea Ferretti

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Amer Chemical Soc2023

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 ...

2022

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

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

Digitised Newspapers – A New Eldorado for Historians? Reflections on Tools, Methods and Epistemology

Maud Ehrmann, Frédéric Clavert

The application of digital technologies to historical newspapers has changed the research landscape historians were used to. An Eldorado? Despite undeniable advantages, the new digital affordance of historical newspapers also transforms research practices ...

De Gruyter2022

Re:Crete – reuse of concrete elements in new structures: A footbridge prototype

Corentin Jean Dominique Fivet, Maléna Bastien Masse, Célia Marine Küpfer, Jan Friedrich Georg Brütting, Julie Rachel Devènes

Concrete accounts for the largest share of worldwide building material use and waste generation, with cement production being responsible for approximately 9% of global anthropogenic CO2 emissions. A currently untapped strategy to significantly reduce thes ...

CRC Press2022

A microfluidic Braille valve platform for on-demand production, combinatorial screening and sorting of chemically distinct droplets

Christoph Merten, Vida Vafaizadeh, Wenwei Ma

Droplet microfluidics is a powerful tool for a variety of biological applications including single-cell genetics, antibody discovery and directed evolution. All these applications make use of genetic libraries, illustrating the difficulty of generating che ...

NATURE PORTFOLIO2022

A conceptual simulation workflow to guide design decisions regarding the effects of daylight on occupants' alertness

Marilyne Andersen, Clotilde Marie A Pierson, Victoria Eugenia Soto Magán

Recent developments in the lighting research field have demonstrated the importance of a proper exposure to light to mediate several of our behavioral and physiological responses. However, we spend nowadays around 90% of our time indoors with an often quit ...

IOP PUBLISHING LTD2021

Proteomics of Human Milk: Definition of a Discovery Workflow for Clinical Research Studies

Loïc Dayon

Milk is a complex biological fluid composed mainly of water, carbohydrates, lipids, proteins, and diverse bioactive factors. Human milk represents a unique tailored source of nutrients that adapts during lactation to the specific needs of the developing in ...

2021

Clouseau: Blockchain-based Data Integrity for HDFS Clusters

Ioannis Mytilinis

As the volume of produced data is exponentially increasing, companies tend to rely on distributed systems to meet the surging demand for storage capacity. With the business workflows becoming more and more complex, such systems often consist of or are acce ...

IEEE COMPUTER SOC2021

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