Publication

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

2026

Abstract

Artificial intelligence (AI) is transforming the way materials are designed, understood, and manufactured. This Perspective examines how recent advances in data‐driven modeling, high‐performance simulation, and autonomous experimentation are converging to accelerate the discovery of functional materials for next‐generation technologies—from energy storage and biomedicine to nanoelectronics and quantum devices. We outline ongoing strategies to embed AI across the materials design workflow—from synthesis and characterization to large‐scale simulations enabled by machine learning techniques and approaching ab initio accuracy—and discuss key challenges that remain on the path toward intelligent (bio)materials discovery.

Official source

https://infoscience.epfl.ch/entities/publication/ce7dd3cd-faf5-4f8c-a077-283fa3ab8b66

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2026

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/ce7dd3cd-faf5-4f8c-a077-283fa3ab8b66

About this result

Related concepts (32)

Simulation

A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.

Energy storage

Energy storage is the capture of energy produced at one time for use at a later time to reduce imbalances between energy demand and energy production. A device that stores energy is generally called an accumulator or battery. Energy comes in multiple forms including radiation, chemical, gravitational potential, electrical potential, electricity, elevated temperature, latent heat and kinetic. Energy storage involves converting energy from forms that are difficult to store to more conveniently or economically storable forms.

Grid energy storage

Grid energy storage (also called large-scale energy storage) is a collection of methods used for energy storage on a large scale within an electrical power grid. Electrical energy is stored during times when electricity is plentiful and inexpensive (especially from intermittent power sources such as renewable electricity from wind power, tidal power and solar power) or when demand is low, and later returned to the grid when demand is high, and electricity prices tend to be higher.

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Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

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