Design of functional and sustainable polymers assisted by artificial intelligence
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …
materials design and development. Here, we review AI-enabled advances made in the …
Machine Learning‐Assisted Property Prediction of Solid‐State Electrolyte
Abstract Machine learning (ML) exhibits substantial potential for predicting the properties of
solid‐state electrolytes (SSEs). By integrating experimental or/and simulation data within ML …
solid‐state electrolytes (SSEs). By integrating experimental or/and simulation data within ML …
Materials cartography: A forward-looking perspective on materials representation and devising better maps
Machine learning (ML) is gaining popularity as a tool for materials scientists to accelerate
computation, automate data analysis, and predict materials properties. The representation of …
computation, automate data analysis, and predict materials properties. The representation of …
A materials discovery framework based on conditional generative models applied to the design of polymer electrolytes
In this work, we introduce a computational polymer discovery framework that efficiently
designs polymers with tailored properties. The framework comprises three core components …
designs polymers with tailored properties. The framework comprises three core components …
De novo design of polymer electrolytes with high conductivity using gpt-based and diffusion-based generative models
De novo design of polymer electrolytes using GPT-based and diffusion-based generative models
Solid polymer electrolytes offer promising advancements for next-generation batteries,
boasting superior safety, enhanced specific energy, and extended lifespans over liquid …
boasting superior safety, enhanced specific energy, and extended lifespans over liquid …
[HTML][HTML] A cloud platform for sharing and automated analysis of raw data from high throughput polymer MD simulations
Open material databases storing thousands of material structures and their properties have
become the cornerstone of modern computational materials science. Yet, the raw simulation …
become the cornerstone of modern computational materials science. Yet, the raw simulation …
Machine Learning Approaches in Polymer Science: Progress and Fundamental for a New Paradigm
Machine learning (ML), material genome, and big data approaches are highly overlapped in
their strategies, algorithms, and models. They can target various definitions, distributions …
their strategies, algorithms, and models. They can target various definitions, distributions …
Basic Concepts and Tools of Artificial
K FERJI - chemrxiv.org
In recent years, artificial intelligence (AI) has emerged as a transformative tool for
addressing scientific and technical challenges across various disciplines. AI enables data …
addressing scientific and technical challenges across various disciplines. AI enables data …