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, ...

Material science, at its core, is an interdisciplinary field focusing on the discovery and design of new materials. It combines elements of physics, chemistry and engineering to understand and ...

Machine learning (ML) enables the accurate and efficient computation of fundamental electronic properties of binary and ternary oxide surfaces, as shown by scientists. Their ML-based model could be ...

Gain a deeper understanding of artificial intelligence with Machine Learning Fundamentals: Principles and Applications. This course explores core concepts and practical uses of supervised and ...

Conventional clustering techniques often focus on basic features like crystal structure and elemental composition, neglecting target properties such as band gaps and dielectric constants. A new study ...