相关论文: Structural phase transition of two-dimensional mon…

Recent advances in machine learning have become increasingly popular in the applications of phase transitions and critical phenomena. By machine learning approaches, we try to identify the physical characteristics in the two-dimensional…

The precise simulation of particle transport through detectors remains a key element for the successful interpretation of high energy physics results. However, Monte Carlo based simulation is extremely demanding in terms of computing…

We train artificial neural networks to predict the physical properties of linear, single branched, and double branched alkanes. These neural networks can be trained from fragmented data, which enables us to use physical property information…

Efficient and automated classification of phases from minimally processed data is one goal of machine learning in condensed matter and statistical physics. Supervised algorithms trained on raw samples of microstates can successfully detect…

In molecular dynamics (MD), neural network (NN) potentials trained bottom-up on quantum mechanical data have seen tremendous success recently. Top-down approaches that learn NN potentials directly from experimental data have received less…

Understanding the behavior of materials under irradiation is crucial for the design and safety of nuclear reactors, spacecraft, and other radiation environments. The threshold displacement energy (Ed) is a critical parameter for…

Machine learning (ML) and artificial intelligence (AI) have the remarkable ability to classify, recognize, and characterize complex patterns and trends in large data sets. Here, we adopt a subclass of machine learning methods viz., deep…

Monte Carlo simulations have been used to study phase transitions on coupled anisotropic ferro/antiferromagnetic (FM/AFM) films of classical Heisenberg spins. We consider films of different thicknesses, with fully compensated exchange…

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Moir\'e patterns made of two-dimensional (2D) materials represent highly tunable electronic Hamiltonians, allowing a wide range of quantum phases to emerge in a single material. Current modeling techniques for moir\'e electrons requires…

With the advent of increasingly elaborate experimental techniques in physics, chemistry and materials sciences, measured data are becoming bigger and more complex. The observables are typically a function of several stimuli resulting in…

Detection of phase transitions is a critical task in statistical physics, traditionally pursued through analytic methods and direct numerical simulations. Recently, machine-learning techniques have emerged as promising tools in this…

We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The framework can predict potential ferroelectric compounds…

We present a pipeline for predicting mechanical properties of vertically-oriented carbon nanotube (CNT) forest images using a deep learning model for artificial intelligence (AI)-based materials discovery. Our approach incorporates an…

Here I introduce an automatic approach to determine the material flow patterns during deformation process using artificial neural networks (ANN). Since deriving and calibrating complex mathematical models for prediction of power…

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature…

Understanding thermal stress evolution in metal additive manufacturing (AM) is crucial for producing high-quality components. Recent advancements in machine learning (ML) have shown great potential for modeling complex multiphysics problems…

The accurate prediction of solid-solid structural phase transitions at finite temperature is a challenging task, since the dynamics is so slow that direct simulations of the phase transitions by first-principles (FP) methods are typically…

In recent years, artificial neural networks and their applications for large data sets have became a crucial part of scientific research. In this work, we implement the Multilayer Perceptron (MLP), which is a class of feedforward artificial…

Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a two-dimensional system of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize…