Publications related to AiiDA: automated interactive infrastructure and database for computational science

Related publications (28)

The connection of the acyclic disconnection and feedback arc sets - On an open problem of Figueroa et al

We examine the connection of two graph parameters, the size of a minimum feedback arcs set and the acyclic disconnection. A feedback arc set of a directed graph is a subset of arcs such that after deletion the graph becomes acyclic. The acyclic disconnecti ...

Elsevier2024

Live-cell imaging powered by computation

Suliana Manley

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Nature Portfolio2024

An Industrial West? A Mixed-Methods Analysis of Newspapers Discourses about Technology over One Hundred and Ten Years (1830-1940)

Emmanuelle Adelina Virginie Denove

Recent work analyzing the social impact of technology in processes of globalization signals a shared Western voice in sustainability related discourses dating back twenty years (Fernández Fernández and Savcisens. However, many scholars propose the idea tha ...

Centre pour la Communication Scientifique Directe (CCSD)2024

Hausdorff dimension of fermions on a random lattice

Mattia Guerino Varrone

Geometric properties of lattice quantum gravity in two dimensions are studied numerically via Monte Carlo on Euclidean Dynamical Triangulations. A new computational method is proposed to simulate gravity coupled with fermions, which allows the study of int ...

Elsevier2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

The cost of adaptability: resource availability constrains functional stability under pulsed disturbances

Hannes Markus Peter

Global change exposes ecosystems to changes in the frequency, magnitude, and concomitancy of disturbances, which impact the composition and functioning of these systems. Here, we experimentally evaluate the effects of salinity disturbances and eutrophicati ...

Amer Soc Microbiology2024

Better Trees for Santa Claus

Etienne Michel François Bamas, Lars Rohwedder

We revisit the problem max-min degree arborescence, which was introduced by Bateni et al. [STOC'09] as a central special case of the general Santa Claus problem, which constitutes a notorious open question in approximation algorithms. In the former problem ...

Assoc Computing Machinery2023

Graph-based approximate message passing iterations

Raphaël Jean Berthier

Approximate message passing (AMP) algorithms have become an important element of high-dimensional statistical inference, mostly due to their adaptability and concentration properties, the state evolution (SE) equations. This is demonstrated by the growing ...

Oxford University Press2023

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

Rémi Guillaume Petitpierre, Paul Robert Guhennec, Beatrice Vaienti, Didier Louis Dupertuis

We propose a framework for the construction of 4D scientific models for cities of the past. It leverages both the use of computational methods for bootstrapping, and a collaborative interface for visualisation and edition. This permits to continuously enri ...

Zenodo2023

Dimensionality reduction of time-series data, and systems and devices that use the resultant embeddings

Mackenzie Mathis, Steffen Schneider

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for dimensionality reduction of time-series using contrastive learning. A method can include receiving multidimensional input time series data that includes ...

2023

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Lijing Xin, Mark Stephan Widmaier, Songi Lim, Daniel Wenz

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

WILEY2023

Non-volatile data storage medium and system

Martin Vetterli, Yves Bellouard, Ruben Ricca

A data storage medium (2) comprising a stacked plurality of layers (9), each layer composed of a layer material selected from a group comprising at least two different dielectric materials, adjacent layers being formed of different materials, and at least ...

2023

Encoding and Decoding Narratives: Datafication and Alternative Access Models for Audiovisual Archives

Yuchen Yang

Situated in the intersection of audiovisual archives, computational methods, and immersive interactions, this work probes the increasingly important accessibility issues from a two-fold approach. Firstly, the work proposes an ontological data model to hand ...

ACM2023

Modeling high-entropy transition metal alloys with alchemical compression

Michele Ceriotti, Sandip De, Guillaume André Jean Fraux, Nataliya Lopanitsyna

Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...

AMER PHYSICAL SOC2023

Shared metadata for data-centric materials science

Giovanni Pizzi, Gian-Marco Rignanese

The expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR-data prin ...

Nature Portfolio2023

Atlas Narratives of Anthropogenic Transformations across the Vietnamese Mekong Delta's Urban-Rural Territories: Water Ecosystems as Subject for the Social Ecological Transition

Sylvie Tram Nguyen

Well beyond the impact of climate change, anthropogenic modifications of the Vietnam Mekong Delta's ecosystems have resulted in environmental degradation and subsequent loss in ecosystems. The environmental impacts include but are not limited to accelerate ...

EPFL2023

Quantum engineering and detection of advanced radiation beams

Veronica Leccese

Controlling and shaping radiation beams is fundamental for a better understanding of radiation-matter interaction and advancing experimental techniques for material characterization at high spatial resolution. In particular, the current trend in the miniat ...

EPFL2023

A Unified Experiment Design Approach for Cyclic and Acyclic Causal Models

Negar Kiyavash, Ehsan Mokhtarian, Saber Salehkaleybar

We study experiment design for unique identification of the causal graph of a system where the graph may contain cycles. The presence of cycles in the structure introduces major challenges for experiment design as, unlike acyclic graphs, learning the skele ...

2023

Toward Mobile Distributed Ledgers

Boi Faltings, Sujit Prakash Gujar

Advances in mobile computing have paved the way for new types of distributed applications that can be executed solely by mobile devices on Device-to-Device (D2D) ecosystems (e.g., crowdsensing). Sophisticated applications, like cryptocurrencies, need distr ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Systems and methods for digital information decoding and data storage in hybrid macromolecules

Aleksandra Radenovic, Matteo Dal Peraro, Chan Cao, Lucien Fabrice Krapp

Systems and methods for data storage and readout using hybrid nucleic acid- polymeric molecules are herein disclosed. A molecular data storage medium is presented comprising a header and a footer, each comprising or consisting of at least one unit of a fir ...

2022