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physics.comp-ph2026
Differentiable Particle-Mesh Ewald with Cartesian Tensor Message Passing for Learning Long-Range Electrostatics and Dipole Response
Zhiyue Guo, Junjie Wang, Haoting Zhang +4
Machine learning interatomic potentials (MLIPs) can approach quantum accuracy for short-range chemistry, but most architectures remain local and fail to capture the long-range elec…
physics.comp-ph2024★ 35 cited
E(n)-Equivariant Cartesian Tensor Passing Potential
Junjie Wang, Yong Wang, Haoting Zhang +6
Machine learning potential (MLP) has been a popular topic in recent years for its potential to replace expensive first-principles calculations in some large systems. Meanwhile, mes…