Publications associées à Groupe du tableau périodique

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

Changpeng Lin, Hong Zhang, Chen Shen, 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

Koopmans Spectral Functionals in Periodic Boundary Conditions

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Riccardo De Gennaro

Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically ...

AMER CHEMICAL SOC2022

Improved Cooperation by Exploiting a Common Signal

Boi Faltings, Zeki Doruk Erden, Panayiotis Danassis

Can artificial agents benefit from human conventions? Human societies manage to successfully self-organize and resolve the tragedy of the commons in common-pool resources, in spite of the bleak prediction of non-cooperative game theory. On top of that, rea ...

International Foundation for Autonomous Agents and Multiagent Systems2022

Neural-network quantum states for periodic systems in continuous space

Giuseppe Carleo, Gabriel Maria Pescia

We introduce a family of neural quantum states for the simulation of strongly interacting systems in the presence of spatial periodicity. Our variational state is parametrized in terms of a permutationally invariant part described by the Deep Sets neural-n ...

AMER PHYSICAL SOC2022

Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Paul Varava, Wolfram Feuerstein

Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...

Royal Society of Chemistry2021

Crowding and the importance of grouping and segmentation processes in human vision

Alban Bornet

Human vision has evolved to make sense of a world in which elements almost never appear in isolation. Surprisingly, the recognition of an element in a visual scene is strongly limited by the presence of other nearby elements, a phenomenon known as visual c ...

EPFL2021

Spatial and temporal integration of visual features

Oh-Hyeon Choung

Visual processing can be seen as the integration and segmentation of features. Objects are composed of contours, integrated into shapes and segmented from other contours. Information also needs to be integrated to solve the ill-posed problems of vision. Fo ...

EPFL2021

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

Philip Egger

At the prime 2, Behrens, Hill, Hopkins and Mahowald showed that M-2 (1, 4) admits a 32-periodic v(2)-self-map. More recently, in joint work with Mahowald, we showed that A(1) also admits a 32-periodic v(2)-self-map. This leads to the question of whether th ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2020

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