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Analogous to the way the Human Genome Project advanced an array of biological sciences by mapping the human genome, the Materials Genome Initiative aims to enhance our understanding of the fundamentals of materials science by providing the information we n ...
The Wetland and Wetland CH4 Intercomparison of Models Project (WETCHIMP) was created to evaluate our present ability to simulate large-scale wetland characteristics and corresponding methane (CH4) emissions. A multi-model comparison is essential to evaluat ...
In this short review, some recent advances are discussed in the development of computational techniques to perform large-scale screening of materials for energy-related applications. We focus on carbon capture and methane storage in different classes of na ...
The dissociation of methane on Pt(111) was studied using quantum state-resolved methods and reflection absorption infrared spectroscopy (RAIRS), at a surface temperature of 150 K where the nascent reaction products methyl(ads) and H(ads) are stable and acc ...
A thorough experimental and computational study has been carried out to elucidate the mechanistic reasons for the high volumetric uptake of methane in the metal-organic framework Cu-3(btc)(2) (btc(3-) = 1,3,5-benzenetricarboxylate; HKUST-1). Methane adsorp ...
Opalinus Clay formation (OPA) is an indurated shale under study in the context of geological deep disposal of nuclear waste in Switzerland. We will study the frictional properties of fault zones in OPA to evaluate the long-term safety performance of the re ...
Even though lakes only occupy a small percentage of Earth's surface, they represent a natural source of methane, contributing substantially to methane emissions and ultimately to global warming. There is extensive evidence that methane emissions from lakes ...
In this project, we will study the energy storage with liquid methane linked to a CO2 network that provides heat for district heating. The generated methane enters an hybrid cycle composed of a solid oxide fuel cell and turbines to generate electricity. Th ...
A boreal bog located in the James Bay lowlands, Canada, was instrumented with an open-path gas analyzer to monitor the turbulent fluxes of methane throughout the summer of 2012. The mostly continuous eddy covariance measurements permitted the study of meth ...
The nucleation mechanisms of methane hydrates are studied using well-tempered metadynamics and restrained molecular dynamics. The collective variables we used to follow the process are the methane-methane and methane-water coordination numbers, from which ...
