Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.
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QAVG reconstructs sub-resolution excitation spectra of a CO/χ-Fe5C2 model via averaged variable-grid QPE on Quantinuum H2-2 with Steane-code error correction.
A new on-surface synthesis motif produces gulf-edged chiral graphene nanoribbons identified as closed-shell semiconductors with a 1.8 eV bandgap, distinctive Raman modes, and unexpected ambient instability.
BSE calculations find pristine 2H-Ge exciton lifetimes above 10^-4 s that shorten by nearly two orders with Si alloying and reach nanoseconds under 2% uniaxial strain, yet remain too long to explain observed strong room-temperature PL.
A honeycomb lattice of Aza-3-Triangulene and 2-Triangulene molecules is predicted to form a half-metallic ferrimagnet with fully spin-polarized flat-band conduction, zero net magnetization, and 50 meV exchange couplings for room-temperature stability.
The work identifies two distinct topological phases in bond-alternating spin-1 nanographene chains and proposes two specific molecular candidates whose phases can be distinguished by inelastic electron tunneling spectroscopy.
XRTS benchmark on warm dense Al demonstrates that uniform-electron-gas models overestimate plasmon resonance energy by up to 8 eV while ab initio calculations including disorder agree with experiment.
A hybrid scheme combines channel-agnostic finite-temperature QPE with QAVG reconstruction to obtain the one-particle Green's function for DMFT, shown via numerical simulation on SrVO3.
YbN thin films are insulating with a 1.7 eV band gap, showing LO and TO phonon modes plus a defect-induced absorption tail indicating the Fermi level lies in a disordered conduction band minimum.
DFT calculations show guest atom ionization potential controls stability and rattler motion in A8T27Pn19 clathrates, spin-orbit coupling matters for heavy elements, and synthesis yields new compounds but misses the target phases.
The choice of electron-positron correlation functional produces substantially different positron lifetime values in lead halide perovskites, especially for A-site vacancies, and may require reinterpretation of experimental measurements.
The quatrex quantum transport solver achieves up to 51% higher throughput using low-precision formats while maintaining accuracy on realistic semiconductor systems.
Dynamic charges in a qNEP model become essential at high temperatures for correctly predicting longitudinal optical phonon features and infrared reflectance in TiO2 via Green-Kubo MD.
MACE-MPA-0 predicts Li diffusion Ea of 0.22 eV in LiF, fine-tuned version with 300 points gives 0.20 eV, close to DeePMD reference of 0.24 eV, using far less training data.
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