Publications associées à A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra

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

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

Applications of the thawed Gaussian approximation to electronic spectroscopy

Eriks Kletnieks

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

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

Solar-assisted clean steam generator, a cleaner production approach for sustainable healthcare facilities

Fernando Porté Agel, Ahmad Arabkoohsar, Mohammad Jamshidmofid

Healthcare sector buildings, particularly hospitals, significantly contribute to global energy consumption and greenhouse gas emissions. Hospitals require a substantial amount of steam, including the essential hygienic or " clean steam, " that is currently ...

Elsevier Sci Ltd2024

Electrical and Optical Manifestations of Flat Band Physics in Van der Waals Materials

Gabriele Pasquale

The scientific progress is significantly transforming contemporary society with the introduction and widespread application of technologies like artificial intelligence and quantum computing. Despite their profound impact, these technologies necessitate en ...

EPFL2024

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Self-catalysed frontal polymerisation enables fast and low-energy processing of fibre reinforced polymer composites

Véronique Michaud, Baris Çaglar, Jacobus Gerardus Rudolph Staal

Frontal polymerisation has the potential to bring unprecedented reductions in energy demand and process time to produce fibre reinforced polymer composites. Production of epoxy-based fibre reinforced polymer parts with high fibre volume content, commonly e ...

2024

Heat pumping and renewable energy integration for decarbonizing brewery industry and district heating

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

The energy integration of brewery plants and urban agglomerations has many benefits in terms of rational energy use and reduced environmental impact, especially during scenarios of uncertain supply chain and volatile market prices. In fact, the diversifica ...

Elsevier2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Energy, SBS symptoms, and productivity in Swiss open-space offices: Economic evaluation of standard, actual, and optimum scenarios

Cecile Anne Berquand, Dusan Licina, Dolaana Khovalyg, Arnab Chatterjee, Verena Marie Barthelmes

The fundamental aspiration of new-generation high-performing buildings is to reduce energy use while securing indoor environmental quality conducive to human health and productivity. However, existing frameworks for identifying Key Performance Indicators ( ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Preserving suspended structures with light façades (1960-1980). Architectural study and retrofitting proposals

Giuseppe Galbiati

Nowadays, the energy efficiency of the existing building stock is internationally accepted as a topical issue. Energy retrofitting is encouraged, improving the thermal performances of buildings, but often altering the historical image of our cities. Attent ...

EPFL2023

A systemic study for enhanced waste heat recovery and renewable energy integration towards decarbonizing the aluminium industry

François Maréchal, Daniel Alexander Florez Orrego, Réginald Germanier

The aluminium remelting industry relies on natural gas to transform recycled aluminium into aluminium feedstock, entailing significant atmospheric emissions. Hydric resources are also affected as they are used as sinks of waste heat from the casting proces ...

2023

Renewable Energy Integration and Waste Heat Recovery for the Production of Sustainable Jet Fuel and Decarbonization of Industrial Heating Applications

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

The process synthesis and optimization methods used in this work include simulation of biomass gasification, hydrogen and synthetic natural gas production, and jet fuel production via a Fisher Tropsch unit. An energy integration approach, carried out by th ...

American Institute of Chemical Engineering2023

Building ventilation and outdoor air pollution: Implications for health, comfort and energy

Evangelos Belias

As humans spend most of their time indoors, indoor air quality (IAQ) significantly impacts their health. In parallel, building ventilation consumes significant energy, contributing to climate change. However, the relationships between the building ventilat ...

EPFL2023

ROSMOSE: A Web-based Optimization Tool to Aid Decision-making for the Design and Operation of Industrial and Urban Energy Systems

François Maréchal, Cédric Terrier, Daniel Alexander Florez Orrego, Michel Lopez, Meire Ellen Gorete Ribeiro Domingos

Energy efficiency is crucial for the sustainable operation of all industrial and urban sectors. However, practicing engineers have seldom access to open-source tools that can readily evaluate and compare scenarios in terms of energy consumption, cost, and ...

2023

Endogenous Energy Efficiency Improvement in Housing and Cement Sectors in Switzerland

Sergey Arzoyan

The reduction of energy consumption in the residential building stock and cement industry is a substantial component of the Swiss Energy Strategy 2050. Therefore, it is vital to identify the potential for EEI in these two sectors. In this study, a new meth ...

EPFL2023

Electrification and digitalization effects on sectoral energy demand and consumption: A prospective study towards 2050

François Maréchal, Fabian Heymann, Xiang Li

Energy transition is blurring the boundaries between the demand and supply sides with growing participation of prosumer resources. The intensifying pace of electrification and digitalization during the past decade tends to continue, leading to potential te ...

PERGAMON-ELSEVIER SCIENCE LTD2023

OccuVAE: Integrating unsupervised occupancy inference in data-driven energy modeling for human-centric operation

Andrew James Sonta, Yufei Zhang

Data-driven building energy modeling is an emerging solution to facilitate the implementation of energy-flexible buildings. However, its black-box nature hinders interpretation, including with respect to human-building interaction. This drawback may bring ...

Association for Computing Machinery2023

Tailoring Organic/Inorganic Interface Trap States of Metal Oxide/Polyimide toward Improved Vacuum Surface Insulation

Chao Wang, Guang-Yu Sun, Haoxiang Zhao

High-voltage and high-power devices are indispensablein spacecraftfor outer space explorations, whose operations require aerospace materialswith adequate vacuum surface insulation performance. Despite persistentattempts to fabricate such materials, current ...

AMER CHEMICAL SOC2023