249 citations · 321 across the 5 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
cs.LG2024★ 1 cited
Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials
Ivan Grega, Ilyes Batatia, Gábor Csányi +2
Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural network…
physics.chem-ph2024★ 249 cited
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…