Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath

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Publications associées (31)

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

Nicola Marzari, Carl Simon Adorf, Marnik Bercx, Elena Gazzarrini

Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, given the vastness of compositional and configurational space. We highlight he ...

Nature Portfolio2024

Integrated Wireless Power, Data Communication, and Thermal Sensing System for Autonomous Multisite Brain Implants

Implanted medical devices (IMDs) have been widely developed to support the monitoring and recording of biological data inside the body or brain. Wirelessly powered IMDs, a subset of implantable electronics, have been proposed to eliminate the limitations r ...

EPFL2024

Reliable data-driven decision-making through optimal transport

Bahar Taskesen

Decision-making permeates every aspect of human and societal development, from individuals' daily choices to the complex decisions made by communities and institutions. Central to effective decision-making is the discipline of optimization, which seeks th ...

EPFL2024

Customized modular multi-material mouthguard and method of making the same

Dominique Pioletti, Martin Broome, Naser Nasrollahzadeh Mamaghani

There is described a mouthguard comprising an externally exposed impact protective region defined by a first material property and configured to cover a front tooth, an internally exposed occlusional cushioning region defined by a second material property ...

2024

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Amer Chemical Soc2024

Task-driven neural network models predict neural dynamics of proprioception: Experimental data, activations and predictions of neural network models

Axel Bisi, Alberto Silvio Chiappa, Alexander Mathis, Alessandro Marin Vargas

Here we provide the neural data, activation and predictions for the best models and result dataframes of our article "Task-driven neural network models predict neural dynamics of proprioception". It contains the behavioral and neural experimental data (cu ...

EPFL Infoscience2024

Spectral Estimators for High-Dimensional Matrix Inference

Farzad Pourkamali

A key challenge across many disciplines is to extract meaningful information from data which is often obscured by noise. These datasets are typically represented as large matrices. Given the current trend of ever-increasing data volumes, with datasets grow ...

EPFL2024

Intermediate complexity atmospheric modeling in complex terrain: is it right?

Michael Lehning, Dylan Stewart Reynolds, Michael Haugeneder

Dynamic downscaling of atmospheric forcing data to the hectometer resolution has shown increases in accuracy for landsurface models, but at great computational cost. Here we present a validation of a novel intermediate complexity atmospheric model, HICAR, ...

Frontiers Media Sa2024

Computational Homogenization for Inverse Design of Surface-based Inflatables

Mark Pauly, Francis Julian Panetta, Uday Kusupati, Yingying Ren, Florin Isvoranu, Seiichi Eduardo Suzuki Erazo

Surface-based inflatables are composed of two thin layers of nearly inextensible sheet material joined together along carefully selected fusing curves. During inflation, pressure forces separate the two sheets to maximize the enclosed volume. The fusing c ...

2024

Is There a Special Role for Ovarian Hormones in the Pathogenesis of Lobular Carcinoma?

Cathrin Brisken, Georgios Sflomos

Lobular carcinoma represent the most common special histological subtype of breast cancer, with the majority classed as hormone receptor positive. Rates of invasive lobular carcinoma in postmenopausal women have been seen to increase globally, while other ...

Endocrine Soc2024

Transportation-based functional ANOVA and PCA for covariance operators

Victor Panaretos, Yoav Zemel, Valentina Masarotto

We consider the problem of comparing several samples of stochastic processes with respect to their second-order structure, and describing the main modes of variation in this second order structure, if present. These tasks can be seen as an Analysis of Vari ...

Inst Mathematical Statistics-Ims2024

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