Chen Wang

LunaTP: Enabling Efficient and Scalable Tensor Product for Equivariant MLIPs

Equivariant machine learning interatomic potentials (MLIPs) promise atomistic simulations with accuracy approaching that of quantum-mechanical calculations. However, the high computational cost of their core Clebsch--Gordan tensor product (CGTP) convolutions severely limits model scalability and efficiency. In this pap...