Publications associées à Mode-specific reactivity of CH4 on Pt(110)-(1×2): The concerted role of stretch and bend excitation

Near-Room-Temperature Detection of Aromatic Compounds with Inkjet-Printed Plasticized Polymer Composites

Thomas Maeder, Jürgen Brugger, Mohammadmahdi Kiaee

Chemiresistive gas sensors composed of a thermoplastic polymer matrix and conductive fillers offer various advantages for detecting volatile organic compounds (VOCs), including low power consumption due to near-room-temperature operation, high sensitivity, ...

Amer Chemical Soc2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Osmosis-driven stiffening of structured hydrogels

Esther Amstad, Ran Zhao, Alexandra Thoma

Plant cells harness osmotic pressures to stiffen their leaves through strong turgor pressures. Key to this osmosisdriven stiffening is the confinement of liquids within semipermeable membranes that can regulate the transport of water molecules and ions. In ...

Elsevier2024

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Harald Brune, Hao Yin, Wei Fang

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising pote ...

Amer Chemical Soc2024

Verification of the Fourier-enhanced 3D finite element Poisson solver of the gyrokinetic full-f code PICLS

Stephan Brunner, Laurent Villard, Alberto Bottino, Moahan Murugappan

We introduce and derive the Fourier -enhanced 3D electrostatic field solver of the gyrokinetic full -f PIC code PICLS. The solver makes use of a Fourier representation in one periodic direction of the domain to make the solving of the system easily paralle ...

Elsevier2024

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Oleg Boyarkine, Andrei Zviagin

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

Amer Chemical Soc2024

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Sakthi Priya Amirtharaj

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

EPFL2024

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Exploring High-Performance and Energy-Efficient Architectures for Edge AI-Enabled Applications

Joshua Alexander Harrison Klein

The desire and ability to place AI-enabled applications on the edge has grown significantly in recent years. However, the compute-, area-, and power-constrained nature of edge devices are stressed by the needs of the AI-enabled applications, due to a gener ...

EPFL2024

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

Metal Catalysts for the Electrochemical Reduction of CO2

Cedric David Koolen

The world by and large has adopted the The Paris Agreement, which commits any signing party to cut greenhouse emissions drastically and prevent global heating above 2 °C beyond pre-industrial levels. For this ambitious goal to be met, ratifying states need ...

EPFL2023

Near-wall hemodynamic parameters quantification in in vitro intracranial aneurysms with 7 T PC-MRI

Mohamed Farhat, Philippe Reymond

ObjectiveWall shear stress (WSS) and its derived spatiotemporal parameters have proven to play a major role on intracranial aneurysms (IAs) growth and rupture. This study aims to demonstrate how ultra-high field (UHF) 7 T phase contrast magnetic resonance ...

SPRINGER2023

Reduced order models for coupled systems

Niccolo' Discacciati

Efficient numerical simulations of coupled multi-component systems can be particularly challenging. This is mostly due to the complexity of their solutions, as mutual interactions may cause emergent behaviors, including synchronization and instabilities. V ...

EPFL2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Fabio Pietrucci, Sara Bonella, David Daniel Girardier

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Leukocyte Count and Coronary Artery Disease Events in People With Human Immunodeficiency Virus: A Longitudinal Study

Jacques Fellay, Christian Axel Wandall Thorball

Leukocyte count is associated with coronary artery disease (CAD) events in the general population. Here we show that leukocytes are independently associated with CAD events in people with HIV in Switzerland, after adjusting for traditional and HIVrelated r ...

OXFORD UNIV PRESS INC2023

Reinforcement Learning for Outdoor Balloon Navigation: A Successful Controller for an Autonomous Balloon

Mirko Kovac, Simon Jeger

Autonomous ballooning allows for energy-efficient long-range missions but introduces significant challenges for planning and control algorithms, due to their single degree of actuation: vertical rate control through either buoyancy or vertical thrust. Late ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2024

A semi-supervised algorithm for improving the consistency of crowdsourced datasets: The COVID-19 case study on respiratory disorder classification

David Atienza Alonso, Lara Orlandic, Tomas Teijeiro Campo

Background and Objective: Cough audio signal classification is a potentially useful tool in screening for respiratory disorders, such as COVID-19. Since it is dangerous to collect data from patients with contagious diseases, many research teams have turned ...

2023

Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion

Lorenzo Monacelli

The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...

AMER PHYSICAL SOC2023

Data-driven approaches for non-invasive cuffless blood pressure monitoring

Clémentine Léa Aguet

Blood pressure (BP) is a crucial indicator of cardiovascular health. Hypertension is a common life-threatening condition and a key factor of cardiovascular diseases (CVDs). Identifying abnormal BP fluctuations can allow for early detection and management o ...

EPFL2023