Publications associées à Deep learning-based recommendation system for metal-organic frameworks (MOFs)

Publications associées (32)

A holistic approach for incorporating sub-angstrom gas-sieving pores in single-layer graphene: from atomic simulations to large area membranes

The ultimate thinness of graphene pores makes them ideal as a high-flux selective layer for manipulating molecular transport. However, due to the limited understanding of the formation of ångstrom (Å)-scale pores, controlling pore size and understanding ga ...

EPFL2025

Multi-scale and Multi-physics Modeling of Electrochemical CO2 Reduction

Shuo Liu

The electrochemical CO2 reduction is a promising approach to convert this greenhouse gas to valuable products. The membrane electrode assembly (MEA) configuration integrates porous gas diffusion electrodes (GDEs) where the CO2 reduction reaction rapidly oc ...

EPFL2025

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

Harnessing Porous Materials for Efficient Gas Capture: A Computational Exploration of Structure, Function, and Workflow Automation

Miriam Jasmin Pougin

Industrial chemistry heavily relies on traditional separation methods which are both energy-demanding and environmentally detrimental. This thesis addresses critical separation challenges, specifically carbon capture applications and the separation of ethy ...

EPFL2024

Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning

Berend Smit, Sauradeep Majumdar, Xiaoqi Zhang

The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...

Royal Soc Chemistry2024

CO2 Capture and Management Strategies for Decarbonizing Secondary Aluminium Production

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos, Dareen Zuhir Omar Dardor

The production of aluminium largely depends on the use of fossil fuels, resulting in the emission of significant amounts of greenhouse gases. As the aluminium industry is working towards decreasing its environmental burdens, the elimination of direct emiss ...

2024

Tailoring nanocatalysts and reaction interfaces for water- and CO2-electrolysis

Thi Ha My Pham

Renewable energy sources offer a promising solution for mitigating sustainability and CO2 emissions-related issues due to their vast energy generation capacity. They enable hydrogen production via water electrolysis, as well as carbon capture and utilizati ...

EPFL2024

Design and assessment of an evaporating water-cooled methanation reactor for a SOE-based power-to-methane system

Philippe Aubin

The transition towards clean renewable energy sources, where wind and solar are prone to variation, requires adequate energy storage. Power-to-methane (PtM) systems can be part of the solution. Specifically, solid-oxide-electrolyser (SOE) based PtM systems ...

EPFL2024

Functionalized Å-scale Pores in Graphene for Carbon Capture

Kuang-Jung Hsu

Single-layer graphene, hosting a high density of functionalized molecular-sieving atom-thick pores, is considered to be an excellent material for gas separation membranes. These functionalized atom-thick pores enable the shortest transport pathway across t ...

EPFL2024

Spatio-temporal patterns and drivers of CH4 and CO2 fluxes from rivers and lakes in highly urbanized areas

Alexandre Buttler

Gaseous carbon exchange at the water-air interface of rivers and lakes is an essential process for regional and global carbon cycle assessments. Many studies have shown that rivers surrounding urban landscapes can be hotspots for greenhouse gas (GHG) emiss ...

Elsevier2024

Design and Synthesis of Bio-based Amphiphiles from Lignocellulosic Biomass

Songlan Sun

In the pursuit of a carbon-neutral chemical industry, minimizing fossil feedstock consumption while integrating renewable carbon sources is imperative. Surfactants, inherently amphiphilic, pose challenges in separation and recovery processes. Given their e ...

EPFL2024

Fungal community composition predicts forest carbon storage at a continental scale

Nina Marion Aurélia Van Tiel

Forest soils harbor hyper-diverse microbial communities which fundamentally regulate carbon and nutrient cycling across the globe. Directly testing hypotheses on how microbiome diversity is linked to forest carbon storage has been difficult, due to a lack ...

Nature Portfolio2024

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

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

Where the White Continent Is Blue: Deep Learning Locates Bare Ice in Antarctica

Devis Tuia, Marc Conrad Russwurm

In some areas of Antarctica, blue-colored bare ice is exposed at the surface. These blue ice areas (BIAs) can trap meteorites or old ice and are vital for understanding the climatic history. By combining multi-sensor remote sensing data (MODIS, RADARSAT-2, ...

Amer Geophysical Union2024

Physics-informed neural network estimation of material properties in soft tissue nonlinear biomechanical models

Alfio Quarteroni

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and accurate multi-p ...

SPRINGER2024

Universal Neural-Cracking-Machines: Self-Configurable Password Models from Auxiliary Data

Carmela González Troncoso, Dario Pasquini

We introduce the concept of "universal"password model - a password model that, once pre-trained, can automatically adapt its guessing strategy based on the target system. To achieve this, the model does not need to access any plaintext passwords from the t ...

Institute of Electrical and Electronics Engineers Inc.2024

Leveraging industrial biorefineries for the energy transition

François Maréchal, Julia Granacher

Biorefineries hold the potential to provide products and energy carriers at reduced environmental impact compared to their fossil-based counterparts. Thus, they can contribute to the decarbonization of sectors in which electrification of demands is challen ...

Elsevier Sci Ltd2023

Evolution of water content and suction of Opalinus Clay from recovery at the drilling site to handling in the laboratory

Lyesse Laloui, Alessio Ferrari, Angelica Tuttolomondo

Advanced geotechnical engineering applications, such as shale gas extraction, CO2 geological sequestration, and geological radioactive waste storage, often involve various types of shales located at significant depths. Shales exhibit mechanical properties ...

Pergamon-Elsevier Science Ltd2024

A multi-model analysis of the EU’s path to net zero

Marc Vielle, Sigit Pria Perdana

The European Union (EU) recently ratcheted its climate ambition to net-zero emissions by 2050, with a milestone of 55% emissions cuts in 2030. This study carries out a model inter-comparison to assess the EU’s path, from “Fit for 55” in 2030 to an intermed ...

2023

Readiness evaluation of SOFC-MGT hybrid systems with carbon capture for distributed combined heat and power

Jan Van Herle, Jürg Alexander Schiffmann, Michele Gaffuri, Victoria Xu Hong He

The aggravation of climate change calls for the timely development and implementation of highly efficient, renewable, zero- or negative-emission energy solutions with high technological readiness and feasibility levels. Solid oxide fuel cells (SOFC) consti ...

Elsevier2023