2 papers
cond-mat.mtrl-sci2026
Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation
Fraser Birks, Ibrahim Ghanem, Lars Pastewka +2
Plastic deformation in amorphous solids is carried by localized shear transformations that self-organize into avalanches. In amorphous carbon modeled with a machine-learned interat…
cond-mat.mtrl-sci2026
Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing
Chen Qian, Valdas Vitartas, James Kermode +1
Machine learning surrogate models of Kohn-Sham Density Functional Theory Hamiltonians provide a powerful tool for accelerating the prediction of electronic properties of materials,…