22 citations · 41 across the 6 of their papers we have counts for
6 papers
Optimized Crystallographic Graph Generation for Material Science
Astrid Klipfel, Yaël Frégier, Adlane Sayede +1
Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating gra…
Unified Model for Crystalline Material Generation
Astrid Klipfel, Yaël Frégier, Adlane Sayede +1
One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materia…
Deformation-obstruction theory for diagrams of algebras and applications to geometry
Severin Barmeier, Yaël Frégier
Let be a smooth complex algebraic variety and let denote its Abelian category of coherent sheaves. By the work of W. Lowen and M. Van den Bergh, it is…
On Hom type algebras
Y. Frégier, A. Gohr
Hom-algebras are generalizations of algebras obtained using a twisting by a linear map. But there is a priori a freedom on where to twist. We enumerate here all the possible choice…
The L_\infty-deformation complex of diagrams of algebras
Yael Frégier, Martin Markl, Donald Yau
The deformation complex of an algebra over a colored PROP P is defined in terms of a minimal (or, more generally, cofibrant) model of P. It is shown that it carries the structure o…
Dequantized Differential Operators between Tensor Densities as Modules over the Lie Algebra of Contact Vector Fields
Yaël Frégier, Pierre Mathonet, Norbert Poncin
In recent years, algebras and modules of differential operators have been extensively studied. Equivariant quantization and dequantization establish a tight link between invariant…