Publications associées à Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study

Publications associées (32)

Live-cell imaging powered by computation

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

Augmenting large language models with chemistry tools

Andres Camilo Marulanda Bran, Carlo Baldassari, Philippe Schwaller, Oliver Tobias Schilter

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

Seeking the new, learning from the unexpected: Computational models of surprise and novelty in the brain

Alireza Modirshanechi

Human babies have a natural desire to interact with new toys and objects, through which they learn how the world around them works, e.g., that glass shatters when dropped, but a rubber ball does not. When their predictions are proven incorrect, such as whe ...

EPFL2024

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Fabio Nobile, Tommaso Vanzan

We present a combination technique based on mixed differences of both spatial approximations and quadrature formulae for the stochastic variables to solve efficiently a class of optimal control problems (OCPs) constrained by random partial differential equ ...

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

The role of computational methods in cardiovascular medicine: a narrative review

Alfio Quarteroni, Luca Dede', Christian Vergara, Stefano Pagani

Background and Objective: Computational models of the cardiovascular system allow for a detailed and quantitative investigation of both physiological and pathological conditions, thanks to their ability to combine clinical-possibly patient-specific-data wi ...

Ame Publishing Company2024

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

Butterfly effects in perceptual development: A review of the 'adaptive initial degradation' hypothesis

Lukas Vogelsang

Human perceptual development evolves in a stereotyped fashion, with initially limited perceptual capabilities maturing over the months or years following the commencement of sensory experience into robust proficiencies. This review focuses on the functiona ...

Academic Press Inc Elsevier Science2024

Hardware-Software co-design Methodologies for Edge AI Optimization

Flavio Ponzina

ML-based edge devices may face memory and computational errors that affect applications' reliability and performance. These errors can be the result of particular working conditions (e.g., radiation areas in physical experiments or avionics) or could be th ...

EPFL2023

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

Full Solution Process of a Near-Infrared Light-Emitting Electrochemical Cell Based on Novel Emissive Ruthenium Complexes of 1,10-Phenanthroline-Derived Ligands and a Eutectic Alloy as the Top Electrode

Mohammad Khaja Nazeeruddin

Near-infrared luminescent materials have recently received considerable attention for a large number of applications, including in solid-state lighting, as bioimaging agents, as photovoltaic cells, and in the telecommunication industry. By adding diverse e ...

AMER CHEMICAL SOC2023

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

3DHumanGAN: 3D-Aware Human Image Generation with 3D Pose Mapping

Zhuoqian Yang

We present 3DHumanGAN, a 3D-aware generative adversarial network that synthesizes photo-like images of fullbody humans with consistent appearances under different view-angles and body-poses. To tackle the representational and computational challenges in sy ...

Ieee Computer Soc2023

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

Modeling and simulation of neocortical micro- and mesocircuitry. Part II: Physiology and experimentation

Weina Ji, Henry Markram, Felix Schürmann, Daniel Keller, Eilif Benjamin Muller, Michael Reimann, Werner Alfons Hilda Van Geit, Srikanth Ramaswamy, Matthias Wolf, James Gonzalo King, Alexis Arnaudon, András Ecker, Rajnish Ranjan, Jean-Denis Georges Emile Courcol, Armando Romani, Pramod Shivaji Kumbhar, Judit Planas Carbonell, Giuseppe Chindemi, Michael Emiel Gevaert, Christian Andreas Rössert, Fernando Joaquim Leite Pereira, Omar Awile, Mustafa Anil Tuncel, Daniela Egas Santander, James Bryden Isbister, Natali Barros Zulaica, Samuel Lieven D. Lapere, Sirio Bolaños Puchet, Maria Reva, Genrich Ivaska, Tanguy Pierre Louis Damart, Darshan Mandge, Joni Henrikki Herttuainen, Christoph Pokorny, Elvis Boci, Vishal Sood, Thomas Brice Delemontex, Aleksandra Zuzanna Teska, Polina Litvak, Alexander Dietz, Jorge Blanco Alonso, Gianluca Ficarelli

Cortical dynamics underlie many cognitive processes and emerge from complex multi-scale interactions, which are challenging to study in vivo. Large-scale, biophysically detailed models offer a tool which can complement laboratory approaches. We present a m ...

2024

Robust optimization of control parameters for WEC arrays using stochastic methods

Tommaso Vanzan

This work presents a new computational optimization framework for the robust control of parks of Wave Energy Converters (WEC) in irregular waves. The power of WEC parks is maximized with respect to the individual control damping and stiffness coefficients ...

Journal of Computational Physics2023

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

Design, computational and experimental investigation of a small-scale turbopump for organic Rankine cycle systems

Jürg Alexander Schiffmann, Sajjad Zakeralhoseini

The hydraulic design, computational analysis, and experimental investigations of a high-speed small-scale turbopump for mobile waste heat recovery applications based on organic Rankine cycle systems are presented in this paper. Such applications demand hig ...

Elsevier2023

Machine-learning predictor of nerve fiber firing rate allows the automatic optimization of electrical stimulation protocols

Silvestro Micera, Simone Romeni, Gabriele Marino

Computational models have been widely employed to study the electrical stimulation of the nervous system. Still, most applications either study fundamental mechanisms underlying stimulation, or address qualitative scientific questions. When quantitative qu ...

IEEE2023

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