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Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

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Publications associées (34)

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Dataset for "Complexity of crack front geometry enhances toughness of brittle solids"

John Martin Kolinski, Chenzhuo Li, Xinyue Wei

This data package supports the publication 'Complexity of crack front geometry enhances toughness of brittle solids' by Xinyue Wei, Chenzhuo Li, Cían McCarthy, and John M. Kolinski Nature physics (2024) - https://doi.org/10.1038/s41567-024-02435-x DOI: 1 ...

Zenodo2024

Designing for Intimate Wellbeing: Aidee, a Qualitative Approach To Urine Home Monitoring

Nicolas Henchoz, Delphine Ribes Lemay, Emily Clare Groves, Sebastian Eduardo Baez Lugo, Margherita Motta

Despite the widespread use of self-tracking technologies for promoting personal wellbeing, there is limited research on the monitoring of intimate data, particularly urine. To shed light on the design possibilities within this unexplored domain we designed ...

DRS Digital Library2024

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

Validation and Application of Hysteresis Loss Model for HTS Stacks and Conductors for Fusion Applications

Nikolay Bykovskiy

Numerous conductor designs for pulsed magnets based on High Temperature Superconductors (HTS), featuring stacks of tapes are currently being proposed. A major contribution to the AC losses is expected to be given by hysteresis losses. Several numerical mod ...

IEEE Institute of Electrical and Electronics Engineers2024

Exciton migration in two-dimensional materials

Giovanni Consalvo Cistaro

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

Reducing uncertainties in response predictions of earthquake-damaged masonry buildings using data from image-based inspection

Ian Smith, Katrin Beyer, Bryan German Pantoja Rosero, Mathias Christian Haindl Carvallo

Image information about the state of a building after an earthquake, which can be collected without endangering the post-earthquake reconnaissance activities, can be used to reduce uncertainties in response predictions for future seismic events. This paper ...

Springer2024

Extensions of Peer Prediction Incentive Mechanisms

Adam Julian Richardson

As large, data-driven artificial intelligence models become ubiquitous, guaranteeing high data quality is imperative for constructing models. Crowdsourcing, community sensing, and data filtering have long been the standard approaches to guaranteeing or imp ...

EPFL2024

Seismic Testing of Adjacent Interacting Masonry Structures – Analysis of a Blind Prediction

Katrin Beyer, Igor Tomic

Masonry aggregates, which emerged as layouts of cities and villages became denser, make up historical centres all over the world. In these aggregates, neighbouring structures may share structural walls that are joined at the interfaces by mortar or interlo ...

Springer2024

Search for the lepton flavour violating decays B0→e±μ∓ and B0s→e±μ∓ with LHCb Run 2 data

Sebastian Schulte

A large variety of new physics models suggest that the rates for lepton flavour violating

b

-hadron decays may be much higher than predicted in the Standard Model, which leads to a high interest in the search for such decays. This thesis presents the se ...

EPFL2024

Autorepression of yeast Hsp70 cochaperones by intramolecular interactions involving their J-domains

Paolo De Los Rios, Bruno Claude Daniel Fauvet, Adélaïde Alice Mohr, Mathieu Rebeaud, Satyam Tiwari

The 70 kDa heat shock protein (Hsp70) chaperones control protein homeostasis in all ATP-containing cellular compartments. J-domain proteins (JDPs) coevolved with Hsp70s to trigger ATP hydrolysis and catalytically upload various substrate polypeptides in ne ...

Elsevier Science Inc2024

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

Turbulence in the Strongly Heterogeneous Near-Surface Boundary Layer over Patchy Snow

Michael Lehning, Dylan Stewart Reynolds, Michael Haugeneder

The near-surface boundary layer above patchy snow cover in mountainous terrain is characterized by a highly complex interplay of various flows on multiple scales. In this study, we present data from a comprehensive field campaign that cover a period of 21 ...

2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Data and code associated with the paper 'Mode-Specific Coupling of Nanoparticle-on-Mirror Cavities with Cylindrical Vector Beams'

Christophe Marcel Georges Galland, Sachin Suresh Verlekar, Valeria Vento, Philippe Andreas Rölli

Data and code associated with the following paper: V. Vento et al, Nano Lett. 2023 A thorough explanation of the experiment performed is available there. The name of each sub-folder and file in Maps_data_code.zip indicates the correspondin ...

Zenodo2023