Related papers: Development of a physically-informed neural networ…

Machine-learning interatomic potentials (MLIPs) have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of the cost. Leveraging large quantum mechanical databases and…

Machine learning techniques are employed to perform the full characterization of a quantum system. The particular artificial intelligence technique used to learn the Hamiltonian is called physics informed neural network (PINN). The idea…

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable…

A Gaussian approximation machine learning interatomic potential for platinum is presented. It has been trained on DFT data computed for bulk, surfaces and nanostructured platinum, in particular nanoparticles. Across the range of tested…

Modern power systems face significant challenges in state estimation and real-time monitoring, particularly regarding response speed and accuracy under faulty conditions or cyber-attacks. This paper proposes a hybrid approach using…

Machine learning (ML) has become widely used in the development of interatomic potentials for molecular dynamics simulations. However, most ML potentials are still much slower than classical interatomic potentials and are usually trained…

Quantum state tomography (QST) faces exponential measurement requirements and noise sensitivity in multi-qubit systems, bottlenecking practical quantum technologies. We present a physics-informed neural network (PINN) framework integrating…

Combining the excellent thermal and electrical properties of Cu with the high abrasion resistance and thermal stability of W, Cu-W nanoparticle-reinforced metal matrix composites and nano-multilayers (NMLs) are finding applications as…

Concrete manufacturing projects are one of the most common ones for consulting agencies. Because of the highly non-linear dependency of input materials like ash, water, cement, superplastic, etc; with the resultant strength of concrete, it…

Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic…

This paper presents a novel physical parameter estimation framework for on-site model characterization, using a two-phase modelling strategy with Physics-Informed Neural Networks (PINNs) and transfer learning (TL). In the first phase, a…

We develop improved physics-informed neural networks (PINNs) for high-order and high-dimensional power system models described by nonlinear ordinary differential equations. We propose some novel enhancements to improve PINN training and…

We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

The importance and cost of time-domain simulations when studying power systems have exponentially increased in the last decades. With the growing share of renewable energy sources, the slow and predictable responses from large turbines are…

A computationally efficient and accurate machine-learned (ML) interatomic potential is developed for Ti$_{n+1}$C$_n$ MXenes. With a diverse set of structures computed with density functional theory, the trained ML potential demonstrates…

Scientific machine learning (SciML) represents a significant advancement in integrating machine learning (ML) with scientific methodologies. At the forefront of this development are Physics-Informed Neural Networks (PINNs), which offer a…

We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic potential (MLIP) using the moment tensor potential (MTP)…

We develop and compare four interatomic potentials for iron: a simple machine-learned embedded atom method (EAM) potential, a potential with machine-learned two- and three-body-dependent terms, a potential with machine-learned EAM and…

This study proposes a Physics-Informed Neural Network (PINN) framework to predict the low-cycle fatigue (LCF) life of irradiated austenitic and ferritic/martensitic (F/M) steels used in nuclear reactors. These materials undergo cyclic…

Advances in machine learning (ML) techniques have enabled the development of interatomic potentials that promise both the accuracy of first principles methods and the low-cost, linear scaling, and parallel efficiency of empirical…