Related papers: The AiiDA-Spirit plugin for automated spin-dynamic…
Effective prompt engineering is critical to realizing the promised productivity gains of large language models (LLMs) in knowledge-intensive tasks. Yet, many users struggle to craft prompts that yield high-quality outputs, limiting the…
High-fidelity numerical simulation serves as a cornerstone for exploring magnetization dynamics in micromagnetics. This work introduces a novel third-order temporally accurate and stable numerical scheme for the Landau-Lifshitz-Gilbert…
The Landau-Lifshitz equation describes the time-evolution of magnetic dipoles, and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a…
We present the PRIYA suite of cosmological simulations, based on the code and hydrodynamic model of the ASTRID simulation, and designed for cosmological analyses of the Lyman-$\alpha$ forest. Our simulation suite spans a $9$-dimensional…
With ever-increasing computational capabilities, robust and automated research workflows have become essential for orchestrating large numbers of interdependent simulations. However, significant technical expertise is still required to…
Walking quadruped robots face challenges in positioning their feet and lifting their legs during gait cycles over uneven terrain. The robot Laika is under development as a quadruped with a flexible, actuated spine designed to assist with…
A system of spins coupled to a bath is a traditional setup in open quantum systems. Through Heisenberg's equation, the spin dynamics can be modeled by a set of first-order differential equations. Interpreting the terms as colored noise and…
LLMs approach logical and mathematical reasoning through natural or symbolic languages. While natural language offers human-accessible flexibility but suffers from ambiguity, symbolic reasoning provides precise, machine-executable…
Using a matrix product state algorithm with infinite boundary conditions, we compute high-resolution dynamic spin and quadrupolar structure factors in the thermodynamic limit to explore the low-energy excitations of isotropic…
Efficient simulation of Laser Powder Bed Fusion (LPBF) is crucial for process prediction due to the lasting issue of high computational cost associated with traditional numerical methods such as finite element analysis (FEA). While a…
A spin-1 transverse Ising model with longitudinal crystal field in a longitudinal magnetic field is examined by introducing an effective field approximation (IEFT) which includes the correlations between different spins that emerge when…
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain…
The significant experimental advances of the last few decades in dealing with the interaction of spin currents and nanomagnets, at the device level, has allowed envisioning a broad class of devices that propose to implement information…
A spin dynamics approach has been used to study the behavior of the magnetic spins and the electric pseudo-spins in a 1-D composite multiferroic chain with a linear magneto-electric coupling at the interface. The response is investigated…
We review the recent development of machine-learning (ML) force-field frameworks for Landau-Lifshitz-Gilbert (LLG) dynamics simulations of itinerant electron magnets, focusing on the general theory and implementations of symmetry-invariant…
The numerical simulation of additive manufacturing techniques promises the acceleration of costly experimental procedures to identify suitable process parameters. We recently proposed Floating Isogeometric Analysis (FLIGA), a new…
We introduce multi-head neural networks (MH-NNs) to physics-informed machine learning, which is a type of neural networks (NNs) with all nonlinear hidden layers as the body and multiple linear output layers as multi-head. Hence, we…
This PhD thesis is the conclusion of some of my works carried out at the Centre de Physique Th\'eorique, under the supervision of Serge Lazzarini. Two subjects are presented in the manuscript, both aiming at studying the effect of the spin…
This paper introduces Eilmer, a general-purpose open-source compressible flow solver developed at the University of Queensland, designed to support research calculations in hypersonics and high-speed aerothermodynamics. Eilmer has a broad…
Groundbreaking advances in materials and chemical research have been driven by the development of atomistic simulations. However, the broader applicability of atomistic simulations remains limited, as they inherently depend on energy models…