Hockney-Eastwood
No mentions found
This entity hasn't been tracked yet, or Iris is still building its knowledge base.
Related Articles from SNS
Differentiable Particle-Mesh Ewald with Cartesian Tensor Message Passing for Learning Long-Range Electrostatics and Dipole Response
Announce Type: new Abstract: 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 electrostatic and polarization interactions essential for ionic, polar, and interfacial systems. Recent Ewald-based MLIPs show that locally predicted electrostatic variables can recover important long-range physics, including multipolar response. However, many energy-based implementations...