Publications

Identifying the rank of species in a complex ecosystem is a difficult task, since the rank of each species invariably depends on the interactions stipulated with other species through the adjacency matrix of the network. A common ranking method in economic and ecological networks is to sort the nodes such that the layout of the reordered adjacency matrix looks maximally nested with all nonzero entries packed in the upper left corner, called Nestedness Maximization Problem (NMP). Here we solve this problem by defining a suitable cost-energy function for the NMP which reveals the equivalence between the NMP and the Quadratic Assignment Problem, one of the most important combinatorial optimization problems, and use statistical physics techniques to derive a set of self-consistent equations whose fixed point represents the optimal nodes’ rankings in an arbitrary bipartite mutualistic network. Concurrently, we present an efficient algorithm to solve the NMP that outperforms state-of-the-art network-based metrics and genetic algorithms. Eventually, our theoretical framework may be easily generalized to study the relationship between ranking and network structure beyond pairwise interactions, e.g. in higher-order networks.

Thanks to its low or negative surface electron affinity and chemical inertness, diamond is attracting broad attention as a source material of solvated electrons produced by optical excitation of the solid–liquid interface. Unfortunately, its wide bandgap typically imposes the use of wavelengths in the ultraviolet range, hence complicating practical applications. Here, we probe the photocurrent response of water surrounded by single-crystal diamond surfaces engineered to host shallow nitrogen-vacancy (NV) centers. We observe clear signatures of diamond-induced photocurrent generation throughout the visible range and for wavelengths reaching up to 594 nm. Experiments as a function of laser power suggest that NV centers and other coexisting defects─likely in the form of surface traps─contribute to carrier injection, though we find that NVs dominate the system response in the limit of high illumination intensities. Given our growing understanding of near-surface NV centers and adjacent point defects, these results open new perspectives in the application of diamond–liquid interfaces to photocarrier-initiated chemical and spin processes in fluids.

We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. We show that an accurate NequIP model, an E(3)-equivariant neural network potential, accurately reproduces the phase transition present in PBE. Moreover, the computational efficiency of this model allows for substantially longer molecular dynamics trajectories, enabling us to perform a finite-size scaling (FSS) analysis to distinguish between a crossover and a true first-order phase transition. We locate the critical point of this transition, the liquid-liquid phase transition (LLPT), at 1200-1300 K and 155-160 GPa, a temperature lower than most previous estimates and close to the melting transition.

'Strange' metals that do not follow the predictions of Fermi liquid theory are prevalent in materials that feature superconductivity arising from electron interactions. In recent years, it has been hypothesized that spatial randomness in electron interactions must play a crucial role in strange metals for their hallmark linear-in-temperature (T) resistivity to survive down to low temperatures where phonon and Umklapp processes are ineffective, as is observed in experiments. However, a clear picture of how this happens has not yet been provided in a realistic model free from artificial constructions such as large-N limits and replica tricks. We study a realistic model of two-dimensional metals with spatially random antiferromagnetic interactions in a non-perturbative regime, using numerically exact high-performance large-scale hybrid Monte Carlo and exact averages over the quenched spatial randomness. Our simulations reproduce strange metals' key experimental signature of linear-in-T resistivity with a 'planckian' transport scattering rate Γ

We present the Julia package PauliStrings ( this https URL ) for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli string algebra is encoded into low-level logic operations on integers, and is made efficient by various truncation methods which allow for systematic extrapolation of the results. We illustrate the effectiveness of our package by (i) performing Heisenberg time evolution through direct numerical integration and (ii) by constructing a Liouvillian Krylov space. We benchmark the results against tensor network methods, and we find our package performs favorably. In addition, we show that this representation allows for easy encoding of any geometry. We present results for chaotic and integrable spin systems in 1D as well as some examples in 2D. Currently, the main limitations are the inefficiency of representing non-trivial pure states (or other low-rank operators), as well as the need to introduce dissipation to probe long-time dynamics.

Atomic-scale control of light–matter interactions represents the ultimate frontier for many applications in photonics and quantum technology. Two-dimensional semiconductors, including transition-metal dichalcogenides, are a promising platform to achieve such control due to the combination of an atomically thin geometry and convenient photophysical properties. Here, we demonstrate that a variety of durable polymorphic structures can be combined to generate additional optical resonances beyond the standard excitons. We theoretically predict and experimentally show that atomic-sized patches of the 1T phase within the 1H matrix form unique electronic bands that lead to the emergence of robust optical resonances with strong absorption, circularly polarized emission, and long radiative lifetimes. The atomic manipulation of two-dimensional semiconductors opens unexplored scenarios for light harvesting devices and exciton-based photonics.

Quantum-enhanced Markov chain Monte Carlo, an algorithm in which configurations are proposed through a measured quantum quench and accepted or rejected by a classical algorithm, has been proposed as a possible method for robust quantum speedup on imperfect quantum devices. While this procedure is resilient to noise and control imperfections, the potential for quantum advantage is unclear. By upper-bounding the gap of the Markov chain, we identify competing factors that limit the algorithm's performance. One needs the quantum dynamics to efficiently delocalize the system over a range of classical states, however, it is also detrimental to introduce too much entropy through the quench. Specifically, we show that in the long-time limit, the gap of the Markov chain is bounded by the inverse participation ratio of the classical states in the eigenstate basis, showing there is no advantage when quenching to an ergodic system. For the paradigmatic Sherrington-Kirkpatrick and 3-spin model, we identify the regime of optimal spectral gap scaling and link it to the system's eigenstate properties.

The excited orbitals of color centers typically show stronger electric dipoles, which can serve as a resource for entanglement, emission tuning, or electric field sensing. Here, we use resonant laser excitation to expose strong transition dipoles in the excited state (ES) orbitals of the negatively charged nitrogen vacancy center in diamond. By applying microwave electric fields, we perform strong Rabi driving between ES orbitals, and show that the dressed states can be tuned in frequency and are protected against fluctuations of the transverse electric field. In contrast with previous results, we observe sharp microwave resonances between magnetic states of the ES orbitals, and find that they are broadened due to simultaneous electric dipole driving.

Light-induced electron dynamics in monolayer hexagonal boron nitride is theoretically investigated under the influence of two-color linearly-polarized laser fields at frequencies ω and 2ω, by solving the time-dependent Schrödinger equation with a tight-binding model. In the weak field regime, it is confirm that the injection of ballistic current arises from the breakdown of time-reversal symmetry. This phenomenon is attributed to quantum interference between two distinct excitation paths: a one-photon (2ℏω) absorption path and a two-photon (ℏω) absorption path. In a strong field regime, the analysis reveals that the two-color laser fields may generate a substantial population imbalance within momentum space, consequently facilitating the injection of ballistic current even in a deeply off-resonant regime. The findings demonstrate that a pronounced population imbalance exceeding 30% of excited electrons can be realized without relying on the ellipticity of the fields. This highlights the potential of linearly polarized light for efficient photovoltaic effects and valley population control in 2D systems and heterostructures.

High-harmonic generation (HHG) is a nonlinear process in which a material sample is irradiated by intense laser pulses, causing the emission of high harmonics of the incident light. HHG has historically been explained by theories employing a classical electromagnetic field, successfully capturing its spectral and temporal characteristics. However, recent research indicates that quantum-optical effects naturally exist, or can be artificially induced, in HHG. Even though the fundamental equations of motion for quantum electrodynamics (QED) are well-known, a unifying framework for solving them to explore HHG is missing. So far, numerical solutions employed a wide range of basis-sets and untested approximations. Based on methods originally developed for cavity polaritonics, here we formulate a numerically accurate QED model consisting of a single active electron and a single quantized photon mode. Our framework can in principle be extended to higher electronic dimensions and multiple photon modes to be employed in ab initio codes. We employ it as a model of an atom interacting with a photon mode and predict a characteristic minimum structure in the HHG yield vs. phase-squeezing. We find that this phenomenon, which can be used for novel ultrafast quantum spectroscopies, is partially captured by a multi-trajectory Ehrenfest dynamics approach, with the exact minima position sensitive to the level of theory. On the one hand, this motivates using multi-trajectory approaches as an alternative for costly exact calculations. On the other hand, it suggests an inherent limitation of the multi-trajectory formalism, indicating the presence of entanglement. Our work creates a road-map for a universal formalism of QED-HHG that can be employed for benchmarking approximate theories, predicting novel phenomena for advancing quantum applications, and for the measurements of entanglement and entropy.