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20152024
most citedGraphene/MoS2 van der Waals Bilayer as the Anode Material for Next Generation Li-ion Battery: A First-Principles Investigation

2 citations · 2 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2024

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations

Attila Cangi, Lenz Fiedler, Bartosz Brzoza +11

We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for…