Phys.org

Study offers new insights into first-principles calculations of hadron structure

Researchers from the Institute of Modern Physics (IMP) of the Chinese Academy of Sciences (CAS), together with collaborators from the Instituto Tecnológico de Aeronáutica in Brazil and Iowa State ...
EurekAlert!

Structures and mechanical properties of high-entropy carbides ceramics calculated based on first-principles

This review paper published in AI & Materials explores the implementation of first-principles calculation method within high-entropy carbides ceramics (HECCs) research, specifically examining its role ...
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First principles calculations informing machine learning framework and visualization system for rapid and generalized gas response prediction in black phosphorus sensors (IMAGE)

An integrated framework combining first-principles calculations and machine learning was developed to predict gas-sensing performance. Key descriptors such as adsorption energy, adsorption distance, ...
Phys.org

Research news on First-principles calculations

First-principles calculations are computational techniques that determine the properties of materials or molecular systems directly from fundamental physical laws, typically quantum mechanics, without ...
ISA

Author Q&A: Nonlinear Model-Based Control - Using First-Principles Models in Process Control

Author Dr. R. Russell Rhinehart discusses his new book, Nonlinear Model-Based Control: Using First-Principles Models in Process Control, and explains why nonlinear first-principles models should be ...