Publications associées à Determination of 13C CSA Tensors: Extension of the Model-independent Approach to an RNA Kissing Complex Undergoing Anisotropic Rotational Diffusion in Solution

On the use of Cramér-Rao Lower Bound for least-variance circuit parameters identification of Li-ion cells

Electrochemical Impedance Spectroscopy (EIS) and Equivalent Circuit Models (ECMs) are widely used to characterize the impedance and estimate parameters of electrochemical systems such as batteries. We use a generic ECM with ten parameters grouped to model ...

2024

Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

Francesco Aquilante

We characterize the photochemically relevant conical intersections between the lowest-lying accessible electronic excited states of the different DNA/RNA nucleobases using Cholesky decomposition-based complete active space self-consistent field (CASSCF) al ...

Amer Chemical Soc2023

Spin Textures in 2D Magnets

Lukas Powalla

The continuous reduction of the structural size in nanotechnology slowed down over the last decade, approaching the natural limit of single atoms as building blocks of matter. Therefore, intensive research is directed toward exploring new frontiers, in par ...

EPFL2023

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

Stefano Rusponi, Chao Li, Boris Sorokin

The magnetic propertiesof transition-metal ions aregenerallydescribed by the atomic spins of the ions and their exchange coupling.The orbital moment, usually largely quenched due the ligand field,is then seen as a perturbation. In such a scheme, S = 1/2 io ...

AMER CHEMICAL SOC2023

Nonparametric estimation for SDE with sparsely sampled paths: An FDA perspective

Victor Panaretos, Neda Mohammadi Jouzdani

We consider the problem of nonparametric estimation of the drift and diffusion coefficients of a Stochastic Differential Equation (SDE), based on n independent replicates {Xi(t) : t is an element of [0 , 1]}13 d B(t), where alpha is an element of {0 , 1} a ...

Elsevier2024

Diagnosing weakly first-order phase transitions by coupling to order parameters

Jonathan D'Emidio

The hunt for exotic quantum phase transitions described by emergent fractionalized de-grees of freedom coupled to gauge fields requires a precise determination of the fixed point structure from the field theoretical side, and an extreme sensitivity to weak ...

2023

Order parameters for antiferromagnetic structures: A first-principles study of iridium manganese

Anirudh Raju Natarajan

We use density-functional theory to study the ordered states of iridium manganese, demonstrating a simple but powerful method for describing magnetic structures and the transitions among them. As an illustrative example, the coupling of magnetism and cryst ...

AMER PHYSICAL SOC2022

Magneto-optical study of metamagnetic transitions in the antiferromagnetic phase of alpha-RuCl3

Zhe Wang

alpha-RuCl3 is a promising candidate material to realize the so far elusive quantum spin liquid ground state. However, at low temperatures, the coexistence of different exchange interactions couple the effective pseudospins into an antiferromagnetically zi ...

NATURE PORTFOLIO2022

Dynamics of cavitation bubbles near granular boundaries

Mohamed Farhat, Armand Baptiste Sieber, Davide Bernardo Preso

We study the dynamics of a cavitation bubble near beds of sand of different grain sizes. We use high-speed imaging to observe the motion of the bubble and the sand for different values of the stand-off parameter gamma (dimensionless bubble-boundary distanc ...

Cambridge University Press2022

Real space and reciprocal space investigations of the spin dynamics in skyrmion-hosting materials

Le Yu

Magnetic skyrmions are whirl-like spin configurations with particle-like properties protected by non-trivial topology. Due to their unique spin structures and dynamical properties, they have attracted tremendous interests over the past decade, from fundame ...

EPFL2022

Ab initio theory of magnetism in two-dimensional 1T-TaS2

Oleg Yazyev, Diego José Pasquier

We investigate, using a first-principles density functional methodology, the nature of magnetism in monolayer 1T phase of tantalum disulfide (1T-TaS2). Magnetism in the insulating phase of TaS2 is a longstanding puzzle and has led to a variety of theoretic ...

AMER PHYSICAL SOC2022

Stochastic derivative estimation for max-stable random fields

Erwan Fabrice Koch

We consider expected performances based on max-stable random fields and we are interested in their derivatives with respect to the spatial dependence parameters of those fields. Max-stable fields, such as the Brown-Resnick and Smith fields, are very popula ...

ELSEVIER2022

Electronic and structural dynamics in DNA single strands

Benjamin Bauer

The absorption, conversion and transport of electronic energy in molecular aggregates is at the heart of many important natural and artificial photochemical systems, including organic solar cell materials, photosynthetic light-harvesting complexes and DNA ...

EPFL2021

Spin waves in the collinear antiferromagnetic phase of Mn5Si3

Jan Persson

By combining two independent approaches, inelastic neutron-scattering measurements and density-functionaltheory calculations, we study the spin waves in the collinear antiferromagnetic phase (AFM2) of Mn5Si3. We obtain its magnetic ground-state properties ...

AMER PHYSICAL SOC2021

Measuring compartmental T-2-orientational dependence in human brain white matter using a tiltable RF coil and diffusion-T-2 correlation MRI

Muhamed Barakovic

The anisotropy of brain white matter microstructure manifests itself in orientational-dependence of various MRI contrasts, and can result in significant quantification biases if ignored. Understanding the origins of this orientation-dependence could enhanc ...

2021

Functional and Computational Genomics Reveal Unprecedented Flexibility in Stage-Specific Toxoplasma Metabolism

Vassily Hatzimanikatis, Damien Lionel Nicolas, Dominique Soldati-Favre, Anush Chiappino-Pepe, Aarti Krishnan, Matteo Lunghi

To survive and proliferate in diverse host environments with varying nutrient availability, the obligate intracellular parasite Toxoplasma gondii reprograms its metabolism. We have generated and curated a genome-scale metabolic model (iTgo) for the fast-re ...

CELL PRESS2020

Controlling magnetic order, magnetic anisotropy, and band topology in the semimetals Sr(Mn0.9Cu0.1)Sb-2 and Sr(Mn0.9Zn0.1)Sb-2

Yong Liu

Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals Sr(Mn0.9Cu0.1)Sb-2 and Sr(Mn0.9Zn0.1)Sb-2 undergo three-dimensional C-type antiferromagnetic (AFM) ordering of the Mn2+ moments at T-N ...

2020

Perturbative approach to tunneling and quantum interferences in spin clusters

Frédéric Mila, Ivo Aguiar Maceira

Collective tunneling is a ubiquitous phenomenon in finite-size spin clusters that shows up in systems as diverse as molecular magnets or spin clusters adsorbed at surfaces. The basic problem we explore is to understand how small flipping terms can cooperat ...

2020

Field-induced reorientation of helimagnetic order in Cu2OSeO3 probed by magnetic force microscopy

Helmuth Berger

Cu2OSeO3 is an insulating skyrmion-host material with a magnetoelectric coupling giving rise to an electric polarization with a characteristic dependence on the magnetic-field (H) over right arrow. We report a magnetic force microscopy imaging of the helic ...

AMER PHYSICAL SOC2020

Improving baryon acoustic oscillation measurement with the combination of cosmic voids and galaxies

Yu Liang, Andrei Variu, Cheng Zhao

We develop a methodology to optimize the measurement of baryon acoustic oscillation (BAO) from a given galaxy sample. In our previous work, we demonstrated that one can measure BAO from tracers in underdense regions (voids). In this study, we combine the o ...

OXFORD UNIV PRESS2020