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Concept

Tableau périodique des éléments

Publications associées (32)

Supplementary datasets for "ARBRE: Computational resource to predict pathways towards industrially important aromatic compounds"

Vassily Hatzimanikatis, Anastasia Sveshnikova, Homa Mohammadi Peyhani

Supplementary datasets accompanying the manuscript "ARBRE: Computational resource to predict pathways towards industrially important aromatic compounds" published in the Metabolic Engineering Journal (https://doi.org/10.1016/j.ymben.2022.03.013). In line w ...

Zenodo2022

Highly Ordered and Thermally Stable FeRh Cluster Superlattice on Graphene for Low-Temperature Catalytic CO Oxidation

Harald Brune, Jean-Guillaume De Groot, Hao Yin

We report on bimetallic FeRh clusters with a narrow size-distribution grown on graphene on Ir(111) as a carbon-supported model catalyst to promote low-temperature catalytic CO oxidation. By combining scanning tunneling microscopy with catalytic performance ...

WILEY-V C H VERLAG GMBH2022

Postbuckling behavior and imperfection sensitivity of elastic-plastic periodic plate-lattice materials

Fani Derveni

Advances in additive manufacturing have enabled a new generation of materials with advantageous properties inherent to their architecture. Recently, architected materials with periodic arrangements of plates, called plate-lattice materials, have been devel ...

ELSEVIER2022

Modeling non-covalent interactions in condensed phase

Veronika Juraskova

The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...

EPFL2022

Tensor-Based Numerical Method For Stochastic Homogenization

Quentin Olivier Martin Ayoul--Guilmard

This paper addresses the complexity reduction of stochastic homogenization of a class of random materials for a stationary diffusion equation. A cost-efficient approximation of the correctors is obtained using a method designed to exploit quasi-periodicity ...

SIAM PUBLICATIONS2022

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

Tobias Schneider, Omid Ashtari, Sajjad Azimi

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

Window Size Effects on Subjective Impressions of Daylit Spaces: Indoor Studies at High Latitudes Using Virtual Reality

Marilyne Andersen, Jan Wienold, Kynthia Chamilothori

Daylight provision to the indoor space is affected by different building elements that cannot be fully controlled by the users, such as the window size of a space. The dimensions of the fenestration not only affect the lighting levels, but they also affect ...

2021

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

Dissolved major and trace geochemical dynamics in Antarctic lacustrine systems

Tyler Joe Kohler

Clearwater Mesa Uames Ross Island, northeast Antarctic Peninsula) provides a unique opportunity to study solute dynamics and geochemical weathering in the pristine lacustrine systems of a high latitude environment. In order to determine major controls on t ...

Elsevier2020

Invariant tori in dissipative hyperchaos

Tobias Schneider, Jeremy Peter Parker

One approach to understand the chaotic dynamics of nonlinear dissipative systems is the study of non-chaotic yet dynamically unstable invariant solutions embedded in the system's chaotic attractor. The significance of zero-dimensional unstable fixed points ...

American Institute of Physics2022

Combined use of airborne laser scanning and hyperspectral imaging for forest inventories

Matthew Josef Parkan

The thesis presented hereby proposes as a general objective the estimation of forest inventory parameters (e.g. trunk location, height, basal area, crown area, species, etc..) from the combination of Airborne Laser Scanning (ALS) and Hyperspectal Imaging ( ...

EPFL2019

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