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cond-mat.mtrl-sci2024★ 1 cited
A Genetic Algorithm For Convex Hull Optimisation
Scott Donaldson, Robert A. Lawrence, Matt I. J. Probert
Computationally efficient and automated generation of convex hulls is desirable for high throughput materials discovery of thermodynamically stable multi-species crystal structures…
cond-mat.mtrl-sci2024
Are Magnons just the van der Waals interaction in Disguise?
Robert A. Lawrence
The MBD model of the van der Waals interaction is extended to also consider magnetic interactions, and it is demonstrated how this can be made to reproduce the Heisenberg Hamiltoni…