4 papers
Stable Recovery of Matrix Gauge Classes from Pointwise Invariants
Dexuan Zhou, Huajie Chen, Bernie Hsu +1
A parameterized matrix family on a configuration domain is determined by its physical content only up to a constant orthogonal change of basis. This gauge ambiguity…
Equivariant Many-body Message Passing Interatomic Potentials for Magnetic Materials
Cheuk Hin Ho, Cas van der Oord, James P. Darby +11
Magnetism governs key properties of materials used in energy, data storage, and spintronic technologies, yet its complex coupling to lattice and electronic degrees of freedom chall…
Nearsightedness in Materials with Indirect Band Gaps
Huajie Chen, Juerong Feng, Christoph Ortner +1
We investigate the nearsightedness property in the linear tight binding model at zero Fermi-temperature. We focus on the decay property of the density matrix for materials with ind…
Stochastic Reconfiguration with Warm-Started SVD
Dexuan Zhou, Huajie Chen, Cheuk Hin Ho +2
The combination of the variational Monte Carlo (VMC) method with deep learning wave function architectures has led to several successes in ground-state calculations of quantum many…