Concept

Distribution de Boltzmann

Publications associées (159)

High Li-ion conductivity in tetragonal LGPO: A comparative first-principles study against known LISICON and LGPS phases

Nicola Marzari, Giuliana Materzanini, Aris Marcolongo, Leonid Kahle

We highlight fast Li-ion diffusion in hypothetical tetragonal Li10GeP2O12 (LGPO), as a counterpart to the well-known phases of orthorhombic (LISICON) LGPO, thio-LISICON, and tetragonal Li10GeP2S12 (LGPS). We use extended Car-Parrinello molecular dynamics i ...

AMER PHYSICAL SOC2021

Millisecond lattice gasification for high-density CO2- and O2-sieving nanopores in single-layer graphene

Emad Oveisi, Kumar Varoon Agrawal, Mounir Driss Mensi, Marina Micari, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Shaoxian Li, Deepu Joseph Babu

Etching single-layer graphene to incorporate a high pore density with sub-angstrom precision in molecular differentiation is critical to realize the promising high-flux separation of similar-sized gas molecules, e.g., CO2 from N2. However, rapid etching ki ...

2021

The Solution of the Deep Boltzmann Machine on the Nishimori Line

Emanuele Mingione, Diego Alberici

The deep Boltzmann machine on the Nishimori line with a finite number of layers is exactly solved by a theorem that expresses its pressure through a finite dimensional variational problem of min-max type. In the absence of magnetic fields the order paramet ...

SPRINGER2021

Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps

Michele Ceriotti, Gareth Aneurin Tribello, Federico Giberti

Enhanced sampling techniques have become an essential tool in computational chemistry and physics, where they are applied to sample activated processes that occur on a time scale that is inaccessible to conventional simulations. Despite their popularity, i ...

AMER CHEMICAL SOC2021

Ultimate control in chemistry

Andreas Osterwalder

Controlling reactions between molecules is a major fundamental goal in chemistry and doing so on the level of individual quantum states is very challenging. Now, control over the reactant state and full characterization of the product-state distribution of ...

NATURE RESEARCH2021

Real-world gait speed estimation, frailty and handgrip strength: a cohort-based study

Kamiar Aminian, Anisoara Ionescu, Abolfazl Soltani

Gait speed is a reliable outcome measure across multiple diagnoses, recognized as the 6th vital sign. The focus of the present study was on assessment of gait speed in long-term real-life settings with the aim to: (1) demonstrate feasibility in large cohor ...

NATURE PORTFOLIO2021

Shannon entropy and degree of polarization of a speckle pattern

Abhijit Roy

The dependence of the Shannon entropy (SE) of a speckle pattern on the degree of polarization (DoP) of the pattern is investigated both experimentally and numerically. The superposition of two uncorrelated speckle patterns with polarization diversity is ut ...

OPTICAL SOC AMER2021

Using High-Temporal-Resolution Ambient Data to Investigate Gas-Particle Partitioning of Ammonium over Different Seasons

Athanasios Nenes, Qianyu Zhao, Yan Feng

Ammonium is one of the dominant inorganic water-soluble ions in fine particulate matter (PM2.5). In this study, source apportionment and thermodynamic equilibrium models were used to analyze the relationship between pH and the partitioning of ammonium (eps ...

AMER CHEMICAL SOC2020

Concentration of Multi-overlaps for Random Dilute Ferromagnetic Spin Models

Nicolas Macris, Jean François Emmanuel Barbier, Chun Lam Chan

We consider mean field ferromagnetic spin models on dilute random graphs and prove that, with suitable one-body infinitesimal perturbations added to the Hamiltonian, the multi-overlaps concentrate for all temperatures, both with respect to the thermal Gibb ...

SPRINGER2020

Entropy in Spin Relaxation, Spintronics, and Magnetic Resonance

Ferenc Simon

The entropy change during spin relaxation for a realistic model system is studied, whose spin dynamics can be handled with the Boltzmann equation. The time evolution of the von Neumann entropy is monitored during the process and is compared with the recent ...

WILEY-V C H VERLAG GMBH2020

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