Concept

Modèle atomique de Rutherford

Publications associées (35)

Robustness of Local Predictions in Atomistic Machine Learning Models

Michele Ceriotti, Federico Grasselli, Sanggyu Chong, Chiheb Ben Mahmoud

Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling large-scale ML-driven si ...

Washington2023

A data-driven interpretation of the stability of organic molecular crystals

Michele Ceriotti, Edgar Albert Engel, Maria Pakhnova

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fr ...

ROYAL SOC CHEMISTRY2023

Estimating flexibility preferences to resolve temporal scheduling conflicts in activity-based modelling

Michel Bierlaire, Timothy Michael Hillel, Janody Pougala

This paper presents a novel activity-based demand model that combines an optimisation framework for continuous temporal scheduling decisions (i.e. activity timings and durations) with traditional discrete choice models for non-temporal choice dimensions (i ...

SPRINGER2022

A simplified modeling method for multi-particle damper: Validation and application in energy dissipation analysis

Qianqing Wang

Particle dampers have received considerable attention in recent years as a novel damping technique. However, due to its high degree of nonlinearity, no mature damping model has been constructed. This article proposes an equivalent raft model that takes int ...

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD2022

Study on the internal crack network of the ASR-affected concrete by the tomography-based numerical model

Jean-François Molinari, Emil Gallyamov, Mahdieh Shakoorioskooie

In this paper, we present a novel finite element model to simulate alkali-silica reaction in a realistic concrete meso-structure. Application of the internal ASR loading leads to the evolution of multiple deviated cracks and corresponding macroscopic expan ...

PERGAMON-ELSEVIER SCIENCE LTD2022

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 ...

AMER PHYSICAL SOC2020

Universal noise in continuous transport measurements of interacting fermions

Jean-Philippe Brantut

We propose and analyze continuous measurements of atom number and atomic currents using dispersive probing in an optical cavity. For an atom-number measurement in a closed system, we relate both the detection noise and the heating rate due to measurement b ...

AMER PHYSICAL SOC2018

Cryo-EM reconstruction of Type VI secretion system baseplate and sheath distal end

Henning Paul-Julius Stahlberg, Sergey Nazarov

The bacterial Type VI secretion system (T6SS) assembles from three major parts: a membrane complex that spans inner and outer membranes, a baseplate, and a sheath-tube polymer. The baseplate assembles around a tip complex with associated effectors and conn ...

EMBO2017

Lagrangian relaxation for the integration of discrete choice models in mixed integer linear problems

Michel Bierlaire, Shadi Sharif Azadeh, Meritxell Pacheco Paneque, Bernard Gendron

The integration of discrete choice models in mixed integer linear problems provides a better understanding of the preferences of clients to policy makers while planning for their systems. In this research, we present a general framework that is able to com ...

2017

Mobile phone data highlights the role of mass gatherings in the spreading of cholera outbreaks

Andrea Rinaldo, Enrico Bertuzzo, Lorenzo Mari, Flavio Finger

The spatiotemporal evolution of human mobility and the related fluctuations of population density are known to be key drivers of the dynamics of infectious disease outbreaks. These factors are particularly relevant in the case of mass gatherings, which may ...

Natl Acad Sciences2016

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