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  1. Super-Poissonian Squeezed Light in the Ground State of Strongly Coupled Light-matter Systems

    Publication
    Strong light-matter coupling enables hybrid states in which photonic and electronic degrees of freedom become correlated even in the ground state. While many-body effects in long …

  2. Testing electron-photon exchange-correlation functional performance for many-electron systems under weak and strong light-matter coupling

    Publication
    We present results of a photon-free exchange-correlation functional within the local density approximation (pxcLDA) for quantum electrodynamics density functional theory (QEDFT) that efficiently describes the electron …

  3. Perspective on Many-Body Methods for Molecular Polaritonic Systems

    Publication
    Recent advances in strong light–matter interactions have revealed a wealth of new physical phenomena in molecules embedded in optical cavities, including modified chemical reactivity, altered excitation spectra …

  4. Neural network distillation of orbital dependent density functional theory

    Publication
    Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has …

  5. Semiempirical ab initio modeling of bound states of deep defects in semiconductor quantum technologies

    Publication
    A significant hurdle in developing high-performance semiconductor quantum technologies utilizing deep defects is related to charge dynamics. Unfortunately, progress in modeling their charge dynamics has been hindered …

  6. Cavity Born--Oppenheimer approximation for molecules and materials via electric field response

    Publication
    We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate …

  7. Emergent Optical Resonances in Atomically Phase-Patterned Semiconducting Monolayers of WS2

    Publication

  8. Probing electric-dipole-enabled transitions in the excited state of the nitrogen-vacancy center in diamond

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  9. Photo-Induced Charge State Dynamics of the Neutral and Negatively Charged Silicon Vacancy Centers in Room-Temperature Diamond

    Publication
    The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is …

  10. Photoinduced charge injection from shallow point defects in diamond into water

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  11. Probing Correlation of Optical Emission and Defect Sites in Hexagonal Boron Nitride by High-Resolution STEM-EELS

    Publication

  12. Quantum embedding study of strain and charge induced Stark effects on the NV

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  13. The light-matter correlation energy functional of the cavity-coupled two-dimensional electron gas via quantum Monte Carlo simulations

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  14. Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems

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  15. The light-matter correlation energy functional of the cavity-coupled two-dimensional electron gas via quantum Monte Carlo simulations

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  16. Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems

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  17. Simulating Polaritonic Ground States on Noisy Quantum Devices

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  18. Ab Initio Calculations of Quantum Light–Matter Interactions in General Electromagnetic Environments

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  19. Detection and Modeling of Hole Capture by Single Point Defects under Variable Electric Fields

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  20. Semiempirical \(\textit{ab initio}\) modeling of bound states of deep defects in semiconductor quantum technologies

    Publication
    The performance of semiconductor devices can be enhanced by understanding and characterizing the bound states of deep defects. However, simulating these states using conventional

  21. Chemical reactivity under collective vibrational strong coupling

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  22. Error rate reduction of single-qubit gates via noise-aware decomposition into native gates

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  23. Emergence of a low-energy excitonic state in single layer WS2 with 1H/1T phase mixture

    Publication

  24. Optical activation and detection of charge transport between individual colour centres in diamond

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  25. Investigation of photon emitters in Ce-implanted hexagonal boron nitride

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  26. Machine learning band gaps from the electron density

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  27. Ab-initio investigation of Er3+ defects in tungsten disulfide

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  28. Defect Polaritons from First Principles

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  29. Simple Exchange-Correlation Energy Functionals for Strongly Coupled Light-Matter Systems based on the Fluctuation-Dissipation Theorem

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  30. Cavity-Modulated Proton Transfer Reactions

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  31. Polaritonic Unitary Coupled Cluster for Quantum Computations

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  32. Cavity-modified unimolecular dissociation reactions via intramolecular vibrational energy redistribution

    Publication

  33. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

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  34. Error Rate Reduction of Single-Qubit Gates via Noise-Aware Decomposition

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  35. Ab initio linear-response approach to vibro-polaritons in the cavity Born-Oppenheimer approximation

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  36. Quantum Information and Algorithms for Correlated Quantum Matter

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  37. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

    Publication
    Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a …

  38. Weak-to-Strong Light-Matter Coupling and Dissipative Dynamics from First Principles

    Publication
    Cavity-mediated light-matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non …

  39. Strong Spin-Orbit Quenching via the Product Jahn-Teller Effect in Neutral Group IV Artificial Atom Qubits in Diamond

    Publication
    Artificial atom qubits in diamond have emerged as leading candidates for a range of solid-state quantum systems, from quantum sensors to repeater nodes in memory-enhanced quantum …

  40. Cavity control of nonlinear phononics

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    Nonlinear interactions between phonon modes govern the behavior of vibrationally highly excited solids and molecules. Here, we demonstrate theoretically that optical cavities can be used to control the …

  41. From a quantum-electrodynamical light--matter description to novel spectroscopies

    Publication