SLayerGen generates crystals invariant to any space or layer group via autoregressive lattice and Wyckoff sampling plus equivariant diffusion, achieving gains over bulk models on diperiodic materials after correcting a prior loss inconsistency for hexagonal groups.
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3 Pith papers cite this work. Polarity classification is still indexing.
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MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
NISQ quantum simulation of spin-wave spectra in 2D chromium tri-halide magnets achieves agreement with classical benchmarks at quasi-constant wall-time scaling.
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Quantum Simulation of Magnetic Materials: from Ab-Initio to NISQ
NISQ quantum simulation of spin-wave spectra in 2D chromium tri-halide magnets achieves agreement with classical benchmarks at quasi-constant wall-time scaling.