684 citations · 2.5k across the 32 of their papers we have counts for
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Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations
Volker L. Deringer, Noam Bernstein, Gábor Csányi +3
Structurally disordered materials continue to pose fundamental questions, including that of how different disordered phases ("polyamorphs") can coexist and transform from one to an…
Structural and elastic properties of amorphous carbon from simulated quenching at low rates
Richard Jana, Daniele Savio, Volker L. Deringer +1
We generate representative structural models of amorphous carbon (a-C) from constant-volume quenching from the liquid with subsequent relaxation of internal stresses in molecular d…
De novo exploration and self-guided learning of potential-energy surfaces
Noam Bernstein, Gábor Csányi, Volker L. Deringer
Interatomic potential models based on machine learning (ML) are rapidly developing as tools for materials simulations. However, because of their flexibility, they require large fit…