2 citations · 3 across the 4 of their papers we have counts for
5 papers
A sulfonitride transparent conductive thin film with ultra-high refractive index
Eugène Bertin, Shima Kadkhodazadeh, José María Castillo-Robles +9
With the rise of AI-assisted materials screening, extraordinary properties are now frequently predicted in experimentally uncharted material systems, highlighting the need to devel…
Designing dislocation-driven polar vortex networks in twisted perovskites
William Sandholt, Nicolas Gauquelin, John Mangeri +21
Twisting two atomic layers produces a geometric moire pattern, but bonding-induced interfacial reconstruction fundamentally transforms this into an ordered dislocation network - a…
Importance of Electronic Entropy for Machine Learning Interatomic Potentials
Martin Hoffmann Petersen, Steen Lysgaard, Arghya Bhowmik +2
Machine learning interatomic potentials (MLIPs) enable large-scale atomistic simulations but remain challenged in describing mixed-valence materials where charge ordering strongly…
Dis-GEN: Disordered crystal structure generation
Martin Hoffmann Petersen, Ruiming Zhu, Haiwen Dai +6
A wide range of synthesized crystalline inorganic materials exhibit compositional disorder, where multiple atomic species partially occupy the same crystallographic site. As a resu…
Kinetic Langevin Diffusion for Crystalline Materials Generation
François Cornet, Federico Bergamin, Arghya Bhowmik +3
Generative modeling of crystalline materials using diffusion models presents a series of challenges: the data distribution is characterized by inherent symmetries and involves mult…