Machine learning-based neural network potentials often cannot describe long-range interactions. Here the authors present an approach for building neural network potentials that can describe the ...

Foundations in Chemistry: Chemistry is conveniently divided into several widely recognized subfields. The chemistry major at Willamette University requires all students to take courses in analytical ...

Six popular machine learning models. (a) Decision tree; (b) feedforward neural network (Trans: transformation; Activ Func: activation functions); (c) convolution neural network (Conv: convolution; ...

This post was updated March 9 at 11:35 p.m. UCLA researchers created a Valentine’s Day-themed website to help students learn chemistry. Launched Feb. 14, ChemMatch aims to make learning a wide range ...

EDITOR’S NOTE: Every year, hundreds of undergraduates at the University of Delaware dig into research under the guidance of a faculty mentor. Such experiences provided by UD — a nationally recognized ...

The second edition of the "Cheminformatics, Automation and Machine Learning in Chemistry: from fundamental concepts to emerging techniques" (or CAMLC for short) micro-credential aims to introduce ...

We live in transformative times at the intersection of artificial intelligence (AI) language models (LLMs) and complex science. A new study shows how an AI system called Coscientist uses GPT-4, a ...

Nomination Period Extended: Due to the impacts of the federal government shutdown on many of our members, we have extended the nomination period for the 2027 National Awards until December 15 at 11.59 ...