Publications associées à Free particle

Stochastic particle transport by deep-water irregular breaking waves

Correct prediction of particle transport by surface waves is crucial in many practical applications such as search and rescue or salvage operations and pollution tracking and clean-up efforts. Recent results by Deike et al. (J. Fluid Mech., vol. 829, 2017, ...

Cambridge University Press2023

One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap Predictions

Alfredo Pasquarello, Stefano Falletta, Jing Yang

We present an efficient procedure for constructing nonempirical hybrid functionals to accurately predict band gaps of extended systems. We determine mixing parameters by enforcing the generalized Koopmans’ condition on localized electron states, which are ...

2022

Work fluctuations in the active Ornstein-Uhlenbeck particle model

Francesco Cagnetta

We study the large deviations of the power injected by the active force for an active Ornstein-Uhlenbeck particle (AOUP), free or in a confining potential. For the free-particle case, we compute the rate function analytically in d-dimensions from a saddle- ...

IOP Publishing Ltd2021

Persistent random walks of charged particles across magnetic field lines

Ambrogio Fasoli, Ivo Furno, Paolo Ricci, Marcelo Baquero Ruiz, Fabian Manke

We investigate the time evolution of the mean location and variance of a charged particle subject to random collisions that are Poisson distributed. The particle moves on a plane and is subject to a magnetic field applied perpendicular to the plane, so it ...

2020

Nuclear Quantum Effects: Fast and Accurate

Venkat Kapil

Atomistic simulations are a bottom up approach that predict properties of materials by modelling the quantum mechanical behaviour of all electrons and nuclei present in a system. These simulations, however, routinely assume nuclei to be classical particles ...

EPFL2020

Spatio-temporal shaping of a free-electron wave function via coherent light-electron interaction

Fabrizio Carbone, Ivan Madan, Giovanni Maria Vanacore

The past decade has witnessed a quantum revolution in the field of computation, communication and materials investigation. A similar revolution is also occurring for free-electron based techniques, where the classical treatment of a free electron as a poin ...

SPRINGERNATURE2020

Improved mechanical dispersion or use of coupling agents? Advantages and disadvantages for the properties of fluoropolymer/ceramic composites

Sara Dalle Vacche, Véronique Michaud, Yves Leterrier, Dragan Damjanovic

The aim of this work is to investigate the influence of interfacial chemistry on the properties of fluoropolymer composites, independent of effects derived from changes in morphology, in particular particle dispersion state. A comparative study of solvent ...

2018

Nuclear quantum effects enter the mainstream

Michele Ceriotti

Atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive owing to the development of accurate and efficient techniques that describe the quantum mechanical behaviour of electrons. Nevertheless, the ...

2018

Spin Polarization and Attosecond Time Delay in Photoemission from Spin Degenerate States of Solids

Jan Hugo Dil, Stefan Peter Muff, Mauro Fanciulli

After photon absorption, electrons from a dispersive band of a solid require a finite time in the photoemission process before being photoemitted as free particles, in line with recent attosecond-resolved photoemission experiments. According to the Eisenbu ...

American Physical Society2017

Constant-pressure nested sampling with atomistic dynamics

Robert John Nicholas Baldock

The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for conden ...

Amer Physical Soc2017