Related papers: ARES-Phonon: Phonon Calculation Package using Nond…

Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…

Resistive Pulse Sensing (RPS) is a key label-free technology to measure particles and single-cell size distribution. As a growing corpus of evidence supports that cancer cells exhibit distinct mechanical phenotypes from healthy cells,…

The direct parametrisation method for invariant manifold is a model-order reduction technique that can be applied to nonlinear systems described by PDEs and discretised e.g. with a finite element procedure in order to derive efficient…

On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…

Designing materials with controlled heat flow at the nano-scale is central to advances in microelectronics, thermoelectrics, and energy-conversion technologies. At these scales, phonon transport follows the Boltzmann Transport Equation…

We propose a theoretical framework for the detection of order parameter fluctuations in three dimensions using ultrafast coherent phonon spectroscopy. We focus our attention on long wavelength charge density fluctuations (plasmons), and…

Accurately predicting phonon scattering is crucial for understanding thermal transport properties. However, the computational cost of such calculations, especially for four-phonon scattering, can often be more prohibitive when large number…

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport…

Speech foundation models have significantly advanced various speech-related tasks by providing exceptional representation capabilities. However, their high-dimensional output features often create a mismatch with downstream task models,…

We propose a multimodal fusion network (MFN) for precise micro-displacement measurement using a modified Michelson interferometer. The model resolves the intrinsic half-wave displacement ambiguity that limits conventional single-wavelength…

The introduction of a twist between two layers of two-dimensional materials has opened up a new and exciting field of research known as twistronics. In these systems, the phonon dispersions show significant renormalization and enhanced…

We introduce a new audio processing technique that increases the sampling rate of signals such as speech or music using deep convolutional neural networks. Our model is trained on pairs of low and high-quality audio examples; at test-time,…

Accurate and efficient reconstruction techniques are essential in multiresolution analysis and image compression, particularly when the data are represented as cell averages. In this work, we present a non-separable progressive multivariate…

Machine-learning interatomic potentials are widely used as computationally efficient surrogates for density functional theory in atomistic simulations, enabling large-scale, long-time modeling of materials systems. We investigate how…

In this paper, we propose a computational framework, based on the VASP and phono3py computer codes, to obtain the thermoelectric figure of merit from the electron-phonon and phonon-phonon interactions using finite displacements in…

An equation of motion phonon method, developed for even nuclei and recently extended to odd systems with a valence particle, is formulated in the hole-phonon coupling scheme and applied to A=15 and A=21 isobars with a valence hole. The…

We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…

Multiresolution analysis of electronic structure affords the opportunity to capture the full physics of atomic cores in a systematically improvable manner. Applying new techniques, we demonstrate for the first time that multiresolution…

The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate…