Related papers: The AiiDA-Spirit plugin for automated spin-dynamic…
Iterative methods are widely used for solving partial differential equations (PDEs). However, the difficulty in eliminating global low-frequency errors significantly limits their convergence speed. In recent years, neural networks have…
Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants for parsing synthesis recipes from the literature, or using…
We address the long-standing problem of the microscopic origin of the richly diverse phenomena in the chromium breathing pyrochlore material family. Combining electronic structure and renormalization group techniques we resolve the magnetic…
Digital-analog quantum computation aims to reduce the currently infeasible resource requirements needed for near-term quantum information processing by replacing sequences of one- and two-qubit gates with a unitary transformation generated…
We present the Julia package PauliStrings ( https://github.com/nicolasloizeau/PauliStrings.jl ) for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli…
Predicting the dynamic behaviors of particles in suspension subject to hydrodynamic interaction (HI) and external drive can be critical for many applications. By harvesting advanced deep learning techniques, the present work introduces a…
The lattice compact Abelian Higgs model is a non-perturbative regularized formulation of low-energy scalar quantum electrodynamics. In 1+1 dimensions, this model can be quantum simulated using a ladder-shaped optical lattice with…
Large language models (LLMs) have transformed artificial intelligence, but their computational requirements remain prohibitive for most users. Standard inference demands expensive datacenter GPUs or cloud API access, leaving over one…
This paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation…
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the Schr\"odinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and…
In most current debris disc models, the dynamical and the collisional evolutions are studied separately, with N-body and statistical codes, respectively, because of stringent computational constraints. We present here LIDT-DD, the first…
The Landau-Lisfhitz-Gilbert (LLG) equation has been the cornerstone of modeling the dynamics of localized spins, viewed as classical vectors of fixed length, within nonequilibrium magnets. When light is employed as the nonequilibrium drive,…
The energy gap of correlated Hubbard clusters is well studied for one-dimensional systems using analytical methods and density-matrix-renormalization-group (DMRG) simulations. Beyond 1D, however, exact results are available only for small…
We present a method to correct the magnetic properties of itinerant systems in local spin density approximation (LSDA) and we apply it to the ferromagnetic-paramagnetic transition under pressure in a typical itinerant system, Ni$_{3}$Al. We…
The phase transition occurring in a square 2-D spin lattice governed by an anisotropic Heisenberg Hamiltonian has been studied according to two recently proposed methods. The first one, the Dressed Cluster Method, provides excellent…
We identify fingerprints of a proximate quantum spin-liquid (QSL), observable by finite-temperature dynamical thermal transport within a minimal version of the idealized Kitaev model on a two-leg ladder, if subjected to inevitably present…
Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…
We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard $U$ and $V$ parameters from first-principles. By leveraging density-functional perturbation theory, the computation of the Hubbard…
We present a shifted-geodesic framework for computing gravitational-wave fluxes from spinning test bodies moving on bound orbits of Kerr black holes. The method provides a simple and efficient means of evaluating energy and angular momentum…
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…