Concept
Statistique de Maxwell-Boltzmann
Publications associées (23)
Cryogenic MOSFET Modeling for Large-Scale Quantum Computing
Promising results of state-of-the-art quantum computers fuel a world-wide effort in academic and private research laboratories to scale up the number of qubits and improve their characteristics in large arrays. To meet the scale-up challenge, innovative mi ...
EPFL2021Using 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 SOC2020Entropy in Spin Relaxation, Spintronics, and Magnetic Resonance
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 GMBH2020Grand canonical simulations of electrochemical interfaces in implicit solvation models
Nicola Marzari, Oliviero Andreussi, Nicolas Georg Hörmann
We discuss grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments. Water is represented using implicit solvation, here via the self-c ...
AMER INST PHYSICS2019Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces
We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...
EPFL2019