相关论文: Fast and efficient critical state modelling of fie…

Fast-forwarding refers to the ability to simulate a system of time $t$ using significantly fewer than $t$ queries or circuit depth. While various Hamiltonian systems are known to circumvent the no fast-forwarding theorem, analogous results…

The single-molecule magnet {Mn84} is a challenge to theory due to its high nuclearity. Building on our prior work which characterized the structure of the spectrum of this magnet, we directly compute two experimentally accessible…

Accurate and efficient multivariate time series (MTS) forecasting is essential for applications such as traffic management and weather prediction, which depend on capturing long-range temporal dependencies and interactions between entities.…

We introduce the Deep Post-Hartree-Fock (DeePHF) method, a machine learning based scheme for constructing accurate and transferable models for the ground-state energy of electronic structure problems. DeePHF predicts the energy difference…

We deploy an advanced Machine Learning (ML) environment, leveraging a multi-scale cross-attention encoder for event classification, towards the identification of the $gg\to H\to hh\to b\bar b b\bar b$ process at the High Luminosity Large…

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT…

A model, based on classical mechanics and thermodynamics and valid for \textit{all} superconductors, is devised to investigate the properties of the \textit{current-driven}, superconducting to normal transition. This process is shown to be…

This article addresses the research question if and how the finite cell method, an embedded domain finite element method of high order, may be used in the simulation of metal deposition to harvest its computational efficiency. This…

The Hubbard model on fcc-type lattices is studied in the dynamical mean-field theory of infinite spatial dimensions. At intermediate interaction strength finite temperature Quantum Monte Carlo calculations yield a second order phase…

Increased demand for high-performance permanent magnets in the electric vehicle and wind turbine industries has prompted the search for cost-effective alternatives.Discovering new magnetic materials with the desired intrinsic and extrinsic…

The upper critical magnetic field H_{c2} in thin-film FSF trilayer spin-valve cores is studied experimentally and theoretically in geometries perpendicular and parallel to the heterostructure surface. The series of samples with variable…

Stacking fault energies (SFEs) are vital parameters for understanding the deformation mechanisms in metals and alloys, with prior knowledge of SFEs from ab initio calculations being crucial for alloy design. Machine learning (ML) algorithms…

Atomistic simulations of thermodynamic properties of magnetic materials rely on an accurate modelling of magnetic interactions and an efficient sampling of the high-dimensional spin space. Recent years have seen significant progress with a…

The energetic electrons (EEs) generated through auxiliary heating have been found to destabilize various Alfven eigenmodes (AEs) in recent experiments, which in turn lead to the EE transport and degrade the plasma energy confinement. In…

For $d \ge 2$ and all $q\geq q_{0}(d)$ we give an efficient algorithm to approximately sample from the $q$-state ferromagnetic Potts and random cluster models on finite tori $(\mathbb Z / n \mathbb Z )^d$ for any inverse temperature…

The recently proposed center-focused post-processing procedure [Phys. Rev. Research 2, 033476 (2020)] of cellular dynamical mean-field theory suggests that central sites of large impurity clusters are closer to the exact solution of the…

In this paper we demonstrate the performance of several density-based methods in predicting the inversion of S$_1$ and T$_1$ states of a few N-heterocyclic fused ring molecules (popularly known as INVEST molecules) with an eye to identify a…

The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…

The phase diagram of the d=3 Hubbard model is calculated as a function of temperature and electron density n_i, in the full range of densities between 0 and 2 electrons per site, using renormalization-group theory. An antiferromagnetic…

Thermoelectric coolers (TECs) offer a promising solution for direct cooling of local hotspots and active thermal management in advanced electronic systems. However, TECs present significant trade-offs among spatial cooling, heating and…