Publications related to Estimation of transverse spin penetration length using second-harmonic measurement: Proposal of an experimental method

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Antiferromagnetic droplet soliton driven by spin current

Mohammad Hamdi

We demonstrate that a spin current flowing through a nanocontact into a uniaxial antiferromagnet with first- and second-order anisotropy can excite a self-localized dynamic magnetic soliton, known as a spin-wave droplet in ferromagnets. The droplet nucleat ...

AIP American Institute of Physics2024

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Room-Temperature Quantum Optomechanics and Free-Electron Quantum Optics

Guanhao Huang

Quantum optics studies how photons interact with other forms of matter, the understanding of which was crucial for the development of quantum mechanics as a whole. Starting from the photoelectric effect, the quantum property of light has led to the develop ...

EPFL2024

Wandering principal optical axes in van der Waals triclinic materials

Arslan Mazitov

Nature is abundant in material platforms with anisotropic permittivities arising from symmetry reduction that feature a variety of extraordinary optical effects. Principal optical axes are essential characteristics for these effects that define light-matte ...

Nature Portfolio2024

Long-Distance Coherent Propagation of High-Velocity Antiferromagnetic Spin Waves

Jean-Philippe Ansermet, Haiming Yu, Song Liu, Jilei Chen, Cheng Song, Rundong Yuan, Yao Zhang

We report on coherent propagation of antiferromagnetic (AFM) spin waves over a long distance (similar to 10 mu m) at room temperature in a canted AFM alpha-Fe2O3 owing to the Dzyaloshinskii-Moriya interaction (DMI). Unprecedented high group velocities (up ...

AMER PHYSICAL SOC2023

Surprise and novelty in the brain

Wulfram Gerstner, Johanni Michael Brea, Alireza Modirshanechi, Sophia Becker

Notions of surprise and novelty have been used in various experimental and theoretical studies across multiple brain areas and species. However, 'surprise' and 'novelty' refer to different quantities in different studies, which raises concerns about whethe ...

CURRENT BIOLOGY LTD2023

Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

Laura Grigori

We introduce two new approximation methods for the numerical evaluation of the long-range component of the range-separated Coulomb potential and the approximation of the resulting high dimensional Two-Electron Integrals tensor (TEI) with long-range interac ...

Academic Press Inc Elsevier Science2023

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Tommaso Chiarotti

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

EPFL2023

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

A review of the modeling approaches of the lightning M-component with special attention to their current and electric field characteristics

Farhad Rachidi-Haeri, Marcos Rubinstein, Carlo Alberto Nucci, Mohammad Azadifar, Qi Li

In this paper, we present the characteristics of current, electric fields and modeling approaches of lightning M-component mode of charge transfer. We consider both the classical M-components (occurring after return strokes) and M-component-type ICC (Initi ...

Elsevier2023

Visualizing Chiral Interactions in Carbohydrates Adsorbed on Au(111) by High-Resolution STM Imaging

Klaus Kern, Stephan Rauschenbach, Uta Schlickum

Carbohydrates are the most abundant organic material on Earth and the structural "material of choice" in many living systems. Nevertheless, design and engineering of synthetic carbohydrate materials presently lag behind that for protein and nucleic acids. ...

Wiley-VCH Verlag GmbH2023

Protein Dielectrophoresis with Gradient Array of Conductive Electrodes Sheds New Light on Empirical Theory

Olivier Martin, Siarhei Zavatski

Dielectrophoresis (DEP) is a versatile tool for the precise microscale manipulation of a broad range of substances. To unleash the full potential of DEP for the manipulation of complex molecular-sized particulates such as proteins requires the development ...

AMER CHEMICAL SOC2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

Characterization and prediction of peptide structures on inorganic surfaces

Dmitrii Maksimov

Interfaces between peptides and metallic surfaces are the subject of great interest for possible use in technological and medicinal applications, mainly since organic systems present an extensive range of functionalities, are abundant, cheap, and exhibit l ...

EPFL2022

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

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Anne-Clémence Corminboeuf, Veronika Juraskova, Rubén Laplaza Solanas, Frédéric Célerse

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

Low and high frequency electromagnetic forces: numerical modelling and practical applications

Marco Riccardi

The understanding and manipulation of nanoscale analytes is a central theme in nanotechnology and has been one of the main driving forces behind the development of this field as we know it today. Furthermore, such a technology has the potential to also rev ...

EPFL2022

Surface Susceptibilities as Characteristic Models of Reflective Metasurfaces

Karim Achouri, Shourya Dutta Gupta, Ville Tuovi Tiukuvaara

While metasurfaces (MSs) are constructed from deeply subwavelength unit cells, they are generally electrically large and full-wave simulations of the complete structure are computationally expensive. Thus, to reduce this high computational cost, nonuniform ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022