Mathieu Moog
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View article: How methane hydrate recovers at very high pressure the hexagonal ice structure
How methane hydrate recovers at very high pressure the hexagonal ice structure Open
Methane hydrate was recently shown, both experimentally and through simulations, to be stable up to the remarkably high pressure of 150 GPa. A new methane hydrate high-pressure (MH-IV) phase, reminiscent of ice at ambient pressure, was des…
View article: Carbon dioxide at extreme conditions : liquid(s), crystals, glasses and their transformation from ab initio topological methods
Carbon dioxide at extreme conditions : liquid(s), crystals, glasses and their transformation from ab initio topological methods Open
Le dioxyde de carbone est un constituant important du manteau de la Terre et intervient dans de nombreux processus geologiques, notamment sismiques et volcaniques. Dans cette these, nous etudions les transformations du dioxyde de carbone d…
View article: Unsupervised Exploration of MoS<sub>2</sub> Nanocluster Configurations: Structures, Energetics, and Electronic Properties
Unsupervised Exploration of MoS<sub>2</sub> Nanocluster Configurations: Structures, Energetics, and Electronic Properties Open
We propose an efficient method to explore the configuration space of nanoclusters by combining together ab initio molecular dynamics, metadynamics, and data clustering algorithms. On the one side, we employ collective variables sensitive t…
View article: Controlling Protein Orientation in Vacuum Using Electric Fields
Controlling Protein Orientation in Vacuum Using Electric Fields Open
Single-particle imaging using X-ray free-electron lasers is an emerging technique that could provide high-resolution structures of macromolecules in the gas phase. One of the largest difficulties in realizing this goal is the unknown orien…
View article: Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure
Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure Open
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