Ab initio reconstruction of difference densities by charge flipping

À propos
Confidentialité
Mentions légales

Graph Chatbot

Publications associées (32)

Page 2 sur 2

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

Historical perspective and basic principles

Luc Thévenaz

We give a broad overview of the historical development and physics of Brillouin scattering. We discuss the seminal papers of Brillouin and Mandelstam and give the historical context of their research. We discuss the development of experiments and observati ...

Elsevier2022

Multipolar expansions for scattering and optical force calculations beyond the long wavelength approximation

Olivier Martin, Karim Achouri, Andrei Kiselev, Marco Riccardi

We review three different approaches for the calculation of electromagnetic multipoles, namely, the Cartesian primitive multipoles, the Cartesian irreducible multipoles, and the spherical multipoles. We identify the latter as the best suited to describe th ...

AMER PHYSICAL SOC2022

State-to-state surface scattering of methane studied by bolometric infrared laser tagging detection

Bo-Jung Chen

State-to-state molecule/surface scattering experiments prepare the incident molecules in a specific quantum state and measure the quantum state distribution of the scattered molecules. The comparison of state resolved experiments with theory can serve as s ...

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

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Alfredo Pasquarello, Patrick Gono, Thomas Bischoff, Haiyuan Wang

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

NATURE PORTFOLIO2022

Impact of quantum-chemical metrics on the machine learning prediction of electron density

Anne-Clémence Corminboeuf, Alberto Fabrizio, Ksenia Briling

Machine learning (ML) algorithms have undergone an explosive development impacting every aspect of computational chemistry. To obtain reliable predictions, one needs to maintain a proper balance between the black-box nature of ML frameworks and the physics ...

AMER INST PHYSICS2021

Atomic-scale insights into the origin of rectangular lattice in nanographene probed by scanning tunneling microscopy

Shaoxian Li

We conducted atomic-scale scanning tunneling microscopy of a graphene nanosheet on graphite. In addition to a rhombus lattice representing the (root 3x root 3)R30 degrees superstructure, we resolved another quadrangle lattice similar to a rectangle in the ...

AMER PHYSICAL SOC2021

Atom-surface van der Waals potentials of topological insulators and semimetals from scattering measurements

Davide Campi

The phenomenology of resonant scattering has been known since the earliest experiments upon scattering of atomic beams from surfaces and is a means of obtaining experimental information about the fundamentals of weak adsorption systems in the van der Waals ...

2021

Path Replay Backpropagation: Differentiating Light Paths using Constant Memory and Linear Time

Wenzel Alban Jakob, Delio Aleardo Vicini, Sébastien Nicolas Speierer

Differentiable physically-based rendering has become an indispensable tool for solving inverse problems involving light. Most applications in this area jointly optimize a large set of scene parameters to minimize an objective function, in which case revers ...

ASSOC COMPUTING MACHINERY2021

A fast algorithm to find reduced hyperplane unit cells and solve N-dimensional Bezout's identities

Cyril Cayron

Deformation twinning on a plane is a simple shear that transforms a unit cell attached to the plane into another unit cell equivalent by mirror symmetry or 180 degrees rotation. Thus, crystallographic models of twinning require the determination of the sho ...

INT UNION CRYSTALLOGRAPHY2021

Magnonic crystals with reconfigurable magnetic defects for spin-based microwave electronics

Korbinian Baumgärtl

Collective spin excitations can propagate in magnetically ordered materials in the form of waves. These so-called spin waves (SWs) or magnons are promising for low-power beyond-CMOS information processing, which does not rely anymore on the lossy movement ...

EPFL2021