Unveiling the stacking of 2D bilayers with artificial intelligence tools

• Grant number: 24/18355-4
• Support Opportunities: Scholarships in Brazil - Program to Stimulate Scientific Vocations
• Start date: January 10, 2025
• End date: February 19, 2025
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Adalberto Fazzio
• Grantee: Lorenzo Pereira Piccoli Xavier
• Host Institution: Centro Nacional de Pesquisa em Energia e Materiais (CNPEM). Ministério da Ciência, Tecnologia e Inovação (Brasil). Campinas , SP, Brazil

Abstract

This project aims to apply artificial intelligence (AI) tools to predict the most stable stacking geometry in bilayers of 2D materials. 2D materials have attracted great interest due to their unique electronic and mechanical properties, with bilayer stacking being a key factor in modulating these properties. Understanding how these layers organize into a stable structure is essential for designing new devices. (AU)