Kavli Affiliate: Birgitta Whaley | Summary:We develop an input-output formulation of quantum light spectroscopy (QLS) by combining the input-output theory, commonly used in quantum optics, with the perturbative expansion method for nonlinear spectroscopy, commonly used in chemical physics. The use of the input-output relation provides physical intuition for how matter systems alter the photon input […]
Kavli Affiliate: Graham Fleming | Summary:Photosystem II (PSII) contains a diverse array of pigment-protein subunits with specialized roles in the antenna network. We investigate the functional significance of this subunit diversity in two structurally similar yet functionally distinct PSII subunits: minor light-harvesting complex CP29 and major light-harvesting complex LHCII. We combine two-dimensional electronic-vibrational spectroscopy with […]
Kavli Affiliate: Archana Raja| Summary:Spectral fingerprints in optical absorption and emission have typically been used as a signature of exciton localization in twisted moiré bilayers. However, the mechanism by which excitons become confined to specific stacking sites and their associated optical signature is experimentally unresolved. Here, we directly visualize in real space how tuning the […]
Kavli Affiliate: Birgitta Whaley | Summary:An improved algorithm to implement our previously proposed static quantum embedding method MPCC (J. Chem. Phys. 161, 164107 (2024)) is presented. It uses the density-fitting (DF) approximation for the electron-repulsion integrals (ERIs) across all layers of the embedding method: the low-level method, the screened interaction, and the high-level method. Additionally, […]
Kavli Affiliate: Birgitta Whaley | Summary:An improved algorithm to implement our previously proposed static quantum embedding method MPCC (J. Chem. Phys. 161, 164107 (2024)) is presented. It uses the density-fitting (DF) approximation for the electron-repulsion integrals (ERIs) across all layers of the embedding method: the low-level method, the screened interaction, and the high-level method. Additionally, […]
Kavli Affiliate: Kristin Persson | Summary:Nanoparticle properties are governed by their surfaces, yet their atomic-scale surface structures remain challenging to predict. Here, we report that bimetallic nanoparticles can form a thermodynamically controlled "shell-dimer" architecture in which one metal forms an overlayer only a few atomic layers thick on another. Using Au-Rh as a model system, […]
Kavli Affiliate: Gerbrand Ceder| Summary:Elemental substitution within existing structural frameworks is a widely applied strategy for developing advanced materials. Yet, optimizing target properties while maintaining phase purity usually demands extensive trial-and-error, which becomes substantially inefficient when navigating a complex design space. Here, we introduce a strategy that simultaneously and dynamically assesses composition-dependent synthetic accessibility and […]
Kavli Affiliate: Felix Fischer | Summary:Van der Waals (vdW) heterostructures provide a versatile platform for exploring emergent quantum phenomena, yet their fabrication is often limited by interfacial contamination and incompatibility with surface-sensitive characterization. Here, we demonstrate muscovite mica as a polymer-free platform for assembling and patterning vdW heterostructure devices. Mica-mediated transfer enables clean exposed surfaces […]
Kavli Affiliate: Irfan Siddiqi | Summary:Flux-activated two-qubit gates in superconducting processors require correction of line distortion, which otherwise produces residual detuning, conditional-phase error, and leakage. Prior demonstrations of cryoscope-based distortion calibration have generally used commercial solutions that specify the filter models but not their FPGA implementation. These details matter for custom and open-source systems, where […]
Kavli Affiliate: Irfan Siddiqi | Summary:Flux-activated two-qubit gates in superconducting processors require correction of line distortion, which otherwise produces residual detuning, conditional-phase error, and leakage. Prior demonstrations of cryoscope-based distortion calibration have generally used commercial solutions that specify the filter models but not their FPGA implementation. These details matter for custom and open-source systems, where […]