Publication

Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide

Publications associées (31)

Inverse Problems in Pulse-Echo Ultrasound: Exploiting Coherence for Image Enhancement and Quantitative Imaging

Whereas pulse-echo ultrasound imaging relied on focused acoustic waves since its inception, the last two decades have seen the development of techniques based on unfocused waves, including ultrafast ultrasound imaging. In large part due to the emergence of ...

EPFL2024

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

Alfredo Pasquarello, Thomas Bischoff, Aleksei Tal

We demonstrate the importance of addressing the F vertex and thus going beyond the GW approximation for achieving the energy levels of liquid water in manybody perturbation theory. In particular, we consider an effective vertex function in both the polariz ...

National Academy of Sciences2024

SPACE-TIME REDUCED BASIS METHODS FOR PARAMETRIZED UNSTEADY STOKES EQUATIONS

Simone Deparis, Riccardo Tenderini, Nicholas Mueller

In this work, we analyze space-time reduced basis methods for the efficient numerical simulation of haemodynamics in arteries. The classical formulation of the reduced basis (RB) method features dimensionality reduction in space, while finite difference sc ...

Siam Publications2024

General and Unified Model of the Power Flow Problem in Multiterminal AC/DC Networks

Mario Paolone, Willem Lambrichts

This paper proposes a generic and unified model of the power flow (PF) problem for multiterminal hybrid AC/DC networks. The proposed model is an extension of the standard AC-PF. The DC network is treated as an AC one and, in addition to the Slack, PV and P ...

IEEE Institute of Electrical and Electronics Engineers2024

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Characterization of Transverse Instabilities Driven by Electron Cloud

Sofia Carolina Johannesson

Electron cloud continues to be one of the main limiting factors of the Large Hadron Collider (LHC), the biggest accelerator at CERN. These clouds form in the beam chamber when positively charged particles are passing through and cause unwanted effects in b ...

EPFL2024

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

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

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

PROBING INTRACELLULAR ELASTICITY WITH MINIMAL-HESSIAN REGISTRATION

Michaël Unser

We propose an image-based elastography method to measure the heterogeneous stiffness inside a cell and its nucleus. It uses a widely accessible setup consisting of plate compression imaged with fluorescence microscopy. Our framework recovers a spatial map ...

IEEE2023

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

De novo design of protein interactions with learned surface fingerprints

Henning Paul-Julius Stahlberg, Didier Trono, Priscilla Turelli, Charlène Mireille Raymonde Raclot, Sandrine Madeleine Suzanne Georgeon, Beat Fierz, Aaron Simone Petruzzella, Anthony Marchand, Bruno Emanuel Ferreira De Sousa Correia, Elisa Oricchio, Zander Harteveld, Pablo Gainza Cirauqui, Freyr Sverrisson, Andreas Scheck, Sarah Wehrle, Stéphane Rosset, Alexandra Krina Van Hall-Beauvais, Alexandra Teslenko, Jane Marsden, Michael Bronstein, Casper Alexander Goverde, Stephen Michael Buckley, Dongchun Ni, Martin Pacesa

Physical interactions between proteins are essential for most biological processes governing life. However, the molecular determinants of such interactions have been challenging to understand, even as genomic, proteomic and structural data increase. This k ...

2023

A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

Lucien Fabrice Krapp

Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

EPFL2023