Phys.org

Machine learning enables accurate electronic structure calculations at large scales for material modeling

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research, such as drug design and energy storage. However, the lack of a ...
Electronic Design

Air Force eyes artificial intelligence (AI) and machine learning for cognitive electronic warfare (EW)

Project Kaiju to develop AI and machine learning for cognitive electronic warfare using open-systems standards and agile algorithm software development. WRIGHT-PATTERSON AFB, Ohio – U.S. Air Force ...
Nature

Bridging deep learning force fields and electronic structures with a physics-informed approach

This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material ...
Michigan Technological University

Researchers Apply Machine Learning and AI in Search of Less Costly Electronic Structure Method

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...
Nature

Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning

We present a robust protocol for affordable learning of electronic states to accelerate photophysical and photochemical molecular simulations. The protocol solves several issues precluding the ...
Electronic Design

Machine Learning: Building the Bigger Picture by Leveraging Data

Machine learning (ML) is a method of data analysis that automates analytical model building. It’s a branch of artificial intelligence (AI) based on the idea that systems can learn from data, identify ...
Quanta Magazine

What Is Machine Learning?

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...