Publications associées à Invariance principles in the theory and computation of transport coefficients

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

Heuristic Estimation of the Vacuum Energy Density of the Universe: Part II-Analysis Based on Frequency Domain Electromagnetic Radiation

Farhad Rachidi-Haeri, Marcos Rubinstein

In Part I of this paper, an inequality satisfied by the vacuum energy density of the universe was derived using an indirect and heuristic procedure. The derivation is based on a proposed thought experiment, according to which an electron is accelerated to ...

2024

DBFS: Dynamic Bitwidth-Frequency Scaling for Efficient Software-defined SIMD

Giovanni Ansaloni, Alexandre Sébastien Julien Levisse, Flavio Ponzina, Pengbo Yu

Machine learning algorithms such as Convolutional Neural Networks (CNNs) are characterized by high robustness towards quantization, supporting small-bitwidth fixed-point arithmetic at inference time with little to no degradation in accuracy. In turn, small ...

IEEE2024

Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Michele Morgante

In recent years, many efforts have been made to find alternative renewable energy sources that can ideally replace the use of fossil fuels in all aspects. One of the new emerging energy technologies is the bioelectrochemical system, of which two types are ...

EPFL2024

Advanced control strategies to exploit the hydropower potential enhancing ancillary services provision to the power system

Francesco Gerini

The European Union's Green Deal aims for a 55% reduction in greenhouse gas emissions by 2030. To reach this goal, a massive integration of Renewable Energy Sources (RES) into the power grid is necessary. As RES become a large part of the electricity genera ...

EPFL2024

'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga

In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

Iop Publishing Ltd2024

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Computational fluid dynamics simulations of the heat transfer properties of graphene-based nanolubricants and application to hydrodynamic lubrication

Roberto Guarino

In this paper, we consider experimental data available for graphene-based nanolubricants to evaluate their convective heat transfer performance by means of computational fluid dynamics (CFD) simulations. Single-phase models with temperature-dependent prope ...

Aip Publishing2024

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

Vapor compression and energy dissipation in a collapsing laser-induced bubble

Mohamed Farhat, Danail Obreschkow, Armand Baptiste Sieber, Davide Bernardo Preso

The composition of the gaseous phase of cavitation bubbles and its role on the collapse remains to date poorly understood. In this work, experiments of single cavitation bubbles in aqueous ammonia serve as a novel approach to investigate the effect of the ...

Aip Publishing2024

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

Disentangling Thermal from Electronic Contributions in the Spectral Response of Photoexcited Perovskite Materials

Majed Chergui, Thomas Charles Henry Rossi, Lijie Wang, Malte Oppermann

Disentangling electronic and thermal effects in photoexcited perovskite materials is crucial for photovoltaic and optoelectronic applications but remains a challenge due to their intertwined nature in both the time and energy domains. In this study, we emp ...

Amer Chemical Soc2024

Global fluid simulations of plasma turbulence in stellarators

António João Caeiro Heitor Coelho

In order to cope with the decarbonization challenge faced by many countries, fusion is one of the few alternatives to fossil fuels for the production of electricity. Two devices invented in the middle of the previous century have emerged as the most promis ...

EPFL2024

Renewable energy integration and waste heat valorization in aluminum remelting for co-producing kerosene and methanol

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos, Réginald Germanier

The aluminium sector relies on natural gas for the conversion of recycled scrap into new feedstock, which results in substantial atmospheric emissions. Hydric resources are also impacted, as they serve as heat sinks for the waste heat generated during the ...

Associazione Italiana Di Ingegneria Chimica2024

Fusing Pre-existing Knowledge and Machine Learning for Enhanced Building Thermal Modeling and Control

Loris Di Natale

Buildings play a pivotal role in the ongoing worldwide energy transition, accounting for 30% of the global energy consumption. With traditional engineering solutions reaching their limits to tackle such large-scale problems, data-driven methods and Machine ...

EPFL2024

Hybrid organic/metal-oxide shells on semiconductor nanocrystals via colloidal atomic layer deposition

Ona Segura Lecina

The escalating energy demand and the imperative necessity to reduce the carbon footprint require transformative approaches to energy conversion. Materials chemistry plays a pivotal role in addressing these global challenges by developing novel materials fo ...

EPFL2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Room-temperature quantum optomechanics using an ultralow noise cavity

Tobias Kippenberg, Nils Johan Engelsen, Alberto Beccari, Guanhao Huang

At room temperature, mechanical motion driven by the quantum backaction of light has been observed only in pioneering experiments in which an optical restoring force controls the oscillator stiffness1,2. For solid-state mechanical resonators in which oscil ...

Nature Portfolio2024

Unearthing the foundational role of anharmonicity in heat transport in glasses

The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic app ...

Amer Physical Soc2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024