Danish Khan
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Abbott, Joseph W., Carlos Mera Acosta +405 · 3 voices · 7 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Quantum mechanical dataset of 836k neutral closed shell molecules with upto 5 heavy atoms from CNOFSiPSClBr
2024/05/09 by Danish Khan, Anouar Benali, Khan, Danish +7 · 1 voice · 4 citations
Chemistry · Medicine · #Boron Compounds in Chemistry #Inorganic Chemistry and Materials #Inorganic Fluorides and Related Compounds #physics.chem-ph
- Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
2025/01/01 by Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva +23 · 1 voice · 5 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Nuclear Materials and Properties
- Differentiating the 2D Passivation from Amorphous Passivation in Perovskite Solar Cells
2025/09/08 by Xiaojian Zheng, Shehzad Ahmed, Yu Zhang +12 · 1 voice · 6 citations
Engineering · Materials Science · #Conducting polymers and applications #Organic Light-Emitting Diodes Research #Perovskite Materials and Applications