8 citations · 8 across the 2 of their papers we have counts for
4 papers
Materials Informatics Across the Length Scales
Jamal Abdul Nasir, Hamide Kavak, Oguzhan Der +8
Materials informatics is increasingly used to support modelling, analysis and design across the length scales of materials science, from atomistic simulations to microstructural ch…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Thermodynamic sampling of materials using neutral-atom quantum computers
Bruno Camino, Mao Lin, John Buckeridge +1
Neutral-atom quantum hardware has emerged as a promising platform for programmable many-body physics. In this work, we develop and validate a practical framework for extracting the…
Modelling Silica using MACE-MP-0 Machine Learnt Interatomic Potentials
Jamal Abdul Nasir, Jingcheng Guan, Woongkyu Jee +4
Silica polymorphs and zeolites are fundamental to a wide range of industrial applications owing to their diverse structural characteristics, thermodynamic and mechanical stability…