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Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

Ganna Gryn'ova, Juliette Veronique Schleicher

Heteroatom-doped polyaromatic hydrocarbons (or nanographenes) are promising molecular electrocatalysts for the oxygen reduction reaction (ORR). Here, we use density functional theory to investigate the first step of the ORR pathway (chemisorption) for a se ...

AMER CHEMICAL SOC2023

Deep excavation of the impact from endogenous and exogenous uncertainties on long-term energy planning

François Maréchal, Xiang Li

Endogenous and exogenous uncertainties exert significant influences on energy planning. In this study, we propose a systematic methodology to excavate the uncertainty space, by combining mix-integer linear programming (MILP), Monte Carlo simulation, and ma ...

ELSEVIER2023

Study of correlations between LOC/SOC transition, intrinsic toroidal rotation reversal and TEM/ITG bifurcation with different working gases in TCV

Basil Duval, Filippo Bagnato, Aylwin Iantchenko, Oleg Krutkin

The effects of different working gases on the transition from linear ohmic confinement (LOC) regime to saturated ohmic confinement (SOC) regime and its relation to the intrinsic toroidal rotation reversal phenomenon were explored in the TCV tokamak. The en ...

IOP Publishing Ltd2023

The two-point correlation function covariance with fewer mocks

Cheng Zhao

We present FITCOV an approach for accurate estimation of the covariance of two-point correlation functions that requires fewer mocks than the standard mock-based covariance. This can be achieved by dividing a set of mocks into jackknife regions and fitting ...

Oxford Univ Press2023

Tangent functional connectomes uncover more unique phenotypic traits

Mingkui Wang, Enrico Amico

Functional connectomes (FCs) containing pairwise estimations of functional couplings between pairs of brain regions are commonly represented by correlation matrices. As symmetric positive definite matrices, FCs can be transformed via tangent space projecti ...

CELL PRESS2023

Multisensing wearables for real-time monitoring of sweat electrolyte biomarkers during exercise and analysis on their correlation with core body temperature

Danick Briand, Silvia Demuru, Jaemin Kim, Brince Paul Kunnel

Sweat secreted by the human eccrine sweat glands can provide valuable biomarker information during exercise. Real-time non-invasive biomarker recordings are therefore useful for evaluating the physiological conditions of an athlete such as their hydration ...

2023

Characterization of transversely confined electron beam-generated plasma using two-dimensional particle-in-cell simulations

Guang-Yu Sun, Haomin Sun

Electron beam-generated plasmas (EBPs) have been used to modify the surface properties. In certain applications, EBPs are transversely confined and their properties are of value to the treatment. In this paper, the characteristics of an electron beam-gener ...

American Institute of Physics (AIP)2023

Novel Methods For Detection And Analysis Of Atypical Aspects In Speech

Julian David Fritsch

Atypical aspects in speech concern speech that deviates from what is commonly considered normal or healthy. In this thesis, we propose novel methods for detection and analysis of these aspects, e.g. to monitor the temporary state of a speaker, diseases tha ...

EPFL2023

On the similarity between aortic and carotid pressure diastolic decay: a mathematical modelling study

Nikolaos Stergiopoulos, Vasiliki Bikia, Georgios Rovas, Sokratis Anagnostopoulos

Aortic diastolic pressure decay (DPD) has been shown to have considerable pathophysiological relevance in the assessment of vascular health, as it is significantly affected by arterial stiffening. Nonetheless, the aortic pressure waveform is rarely availab ...

Nature Portfolio2023

Correlations from structure and phylogeny combine constructively in the inference of protein partners from sequences

Anne-Florence Raphaëlle Bitbol, Nicola Dietler

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two protein families ...

Public Library Science2022

High-Dimensional Inference on Dense Graphs with Applications to Coding Theory and Machine Learning

Mohamad Baker Dia

We are living in the era of "Big Data", an era characterized by a voluminous amount of available data. Such amount is mainly due to the continuing advances in the computational capabilities for capturing, storing, transmitting and processing data. However, ...

EPFL2018

Image segmentation with variational active contours

Xavier Bresson

An important branch of computer vision is image segmentation. Image segmentation aims at extracting meaningful objects lying in images either by dividing images into contiguous semantic regions, or by extracting one or more specific objects in images such ...

EPFL2005