Publications associées à A class of 2-local finite spectra which admit a v1/2-self-map

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Chen Shen, Hong Zhang, Changpeng Lin, Yong Zhao

Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...

NATURE PORTFOLIO2023

Plasmonic effects in the neutralization of slow ions at a metallic surface

Marnik Bercx

Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...

WILEY-V C H VERLAG GMBH2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

EPFL2023

The elliptical Ornstein-Uhlenbeck process

Sofia Charlotta Olhede

We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...

INT PRESS BOSTON, INC2023

Constructing periodic orbits of high-dimensional chaotic systems by an adjoint-based variational method

Tobias Schneider, Sajjad Azimi, Omid Ashtari

Chaotic dynamics in systems ranging from low-dimensional nonlinear differential equations to high-dimensional spatiotemporal systems including fluid turbulence is supported by nonchaotic, exactly recurring time-periodic solutions of the governing equations ...

2022

Spectral properties of extended systems from Koopmans-compliant functionals

Riccardo De Gennaro

Electronic-structure simulations have been impacting the study of materials properties thanks to the simplicity of density-functional theory, a method that gives access to the ground state of the system. Although very important, ground-state properties rep ...

EPFL2022

Periodic orbits exhibit oblique stripe patterns in plane Couette flow

Tobias Schneider, Florian Reetz

Spatiotemporally chaotic dynamics of transitional plane Couette flow may give rise to regular turbulent-laminar stripe patterns with a large-scale pattern wavelength and an oblique orientation relative to the laminar flow direction. A recent dynamical syst ...

AMER PHYSICAL SOC2021

Modeling the Ga/As binary system across temperatures and compositions from first principles

Michele Ceriotti, Giulio Imbalzano

Materials composed of elements from the third and fifth columns of the periodic table display a very rich behavior, with the phase diagram usually containing a metallic liquid phase and a polar semiconducting solid. As a consequence, it is very hard to ach ...

AMER PHYSICAL SOC2021

A water-based and metal-free dye solar cell exceeding 7% efficiency using a cationic poly(3,4-ethylenedioxythiophene) derivative

A green, efficient and stable solar cell based only on water and safe and cheap elements of the periodic table is proposed in this work, finally consolidating (also from a sustainability viewpoint) the concept of "artificial photosynthesis" studied for dec ...

2020

Optical element

Niels Quack, Gergely Huszka, Marcell Kristof Kiss

The present invention concerns an optical grating comprising a body defining a first external surface and a second external surface. The first external surface defines a periodic structure comprising a plurality of elongated protrusions and a plurality of ...

2020

Solution Processing and Self-Organization of PbS Quantum Dots Passivated with Formamidinium Lead Iodide (FAPbI(3))

Frank Nüesch, Roland Hany

Solution-processed lead sulfide quantum dots (PbS QDs) are very attractive as NIR-active semiconductors for the fabrication of cost-efficient optoelectronic devices. To control the thin film carrier transport, as well as stability, surface passivation is o ...

2020

The Periodic Table and Kinetics?

André Merbach, Lothar Helm

Mendeleev in his first publication ordered the chemical elements following an apparent periodicity of properties such as atomic volume and valence. The reactivity of the elements was only studied systematically many years later. To illustrate the systemati ...

2019

Engineered acoustic mismatch for anchor loss control in contour mode resonators

Luis Guillermo Villanueva Torrijo, Annalisa De Pastina, Andrea Lozzi

Improving the quality factor (Q) of electromechanical resonators is of paramount importance for different applications, ranging from RF filtering to sensing. In this paper, we present a modified fabrication process flow for contour mode resonators to simul ...

2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

To bend or not to bend, the dilemma of multiple bonds

Michele Pizzochero

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

ROYAL SOC CHEMISTRY2019

Predicting the reflectivity and colour of metals from first principles

Gianluca Prandini

Gold and copper are the only two elemental metals that show a characteristic colour, due to the presence of a drop in the reflectivity curve inside the visible range. Reflectivities of all other metals are in general high and flat for all visible frequenci ...

EPFL2019

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...

IOP PUBLISHING LTD2019

Electronic Structure and Topology of Novel Materials

Antimo Marrazzo

The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...

EPFL2019

A multi-technique approach to study the microstructural properties of tin-based transparent conductive oxides

Federica Landucci

Transparent conductive oxides (TCOs) are semiconductor-like materials that exhibit high electrical conductivity and high optical transparency combined. They are adopted in various applications ranging from gas sensors, to electrochromic windows, to photovo ...

EPFL2019

Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements

Félix Benedito Clément Musil, Michele Ceriotti, Michael John Willatt

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...

2018