Bloch-UPAW integrates Bloch orbitals and local UPAW corrections to enable lower-resource fault-tolerant quantum simulations of solids, showing roughly 10x Toffoli reduction for bulk diamond.
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First-principles simulations find denser hydrogen at planetary conditions, implying lower bulk metallicity for Jupiter.
DFT+DMFT with a multi-orbital iterative perturbation theory solver shows that low-energy spectra and transport of SrVO3 are governed by a single quasiparticle weight Z, yielding reasonable experimental agreement insensitive to specific (U,J) parameters.
citing papers explorer
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Fault-tolerant simulation of the electronic structure using Projector Augmented-Waves and Bloch orbitals
Bloch-UPAW integrates Bloch orbitals and local UPAW corrections to enable lower-resource fault-tolerant quantum simulations of solids, showing roughly 10x Toffoli reduction for bulk diamond.
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A Denser Hydrogen Inferred from First-Principles Simulations Challenges Jupiter's Interior Models
First-principles simulations find denser hydrogen at planetary conditions, implying lower bulk metallicity for Jupiter.
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Quantitative DFT+DMFT description of spectra and transport in the moderately correlated metal SrVO$_3$
DFT+DMFT with a multi-orbital iterative perturbation theory solver shows that low-energy spectra and transport of SrVO3 are governed by a single quasiparticle weight Z, yielding reasonable experimental agreement insensitive to specific (U,J) parameters.