Artificial intelligence may significantly accelerate the discovery of new materials but is not easily applicable to non-periodic structures. Here, a deep learning framework is proposed to predict properties of tangible carbon nanotubes by generating virtual structures at different scales and compositions
PointNet-based 3D deep learning model designed for decoding the structure-property relationship for ...
We present a machine learning based model that can predict the electronic structure of quasi-one-dim...
Materials-by-design is a paradigm to develop previously unknown high-performance materials. However,...
We present an interpretable machine learning model to predict accurately the complex rippling deform...
Manipulation of physical and chemical properties of materials via precise doping affords an extensiv...
Deep learning has led to a paradigm shift in artificial intelligence, including web, text, and image...
A novel machine learning model is presented in this work to obtain the complex high-dimensional defo...
Atomic-scale modeling and understanding of materials have made remarkable progress, but they are sti...
From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful d...
Abstract Predicting properties from a material’s composition or structure is of great interest for m...
In this research study, we employ machine learning algorithms to perform molecular dynamics simulati...
Abstract Conventional machine learning approaches for predicting material properties from elemental ...
Materials science is of fundamental significance to science and technology because our industrial ba...
Understanding fracture is critical to the design of resilient nanomaterials. Molecular dynamics offe...
3D graphene assemblies are proposed as solutions to meet the goal toward efficient utilization of 2D...
PointNet-based 3D deep learning model designed for decoding the structure-property relationship for ...
We present a machine learning based model that can predict the electronic structure of quasi-one-dim...
Materials-by-design is a paradigm to develop previously unknown high-performance materials. However,...
We present an interpretable machine learning model to predict accurately the complex rippling deform...
Manipulation of physical and chemical properties of materials via precise doping affords an extensiv...
Deep learning has led to a paradigm shift in artificial intelligence, including web, text, and image...
A novel machine learning model is presented in this work to obtain the complex high-dimensional defo...
Atomic-scale modeling and understanding of materials have made remarkable progress, but they are sti...
From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful d...
Abstract Predicting properties from a material’s composition or structure is of great interest for m...
In this research study, we employ machine learning algorithms to perform molecular dynamics simulati...
Abstract Conventional machine learning approaches for predicting material properties from elemental ...
Materials science is of fundamental significance to science and technology because our industrial ba...
Understanding fracture is critical to the design of resilient nanomaterials. Molecular dynamics offe...
3D graphene assemblies are proposed as solutions to meet the goal toward efficient utilization of 2D...
PointNet-based 3D deep learning model designed for decoding the structure-property relationship for ...
We present a machine learning based model that can predict the electronic structure of quasi-one-dim...
Materials-by-design is a paradigm to develop previously unknown high-performance materials. However,...