Publications

The core accretion model of giant planet formation has been challenged by the discovery of recycling flows between the planetary envelope and the disc that can slow or stall envelope accretion. We carry out 3D radiation hydrodynamic simulations with an updated opacity compilation to model the proto-Jupiter’s envelope. To isolate the 3D effects of convection and recycling, we simulate both isolated spherical envelopes and envelopes embedded in discs. The envelopes are heated at given rates to achieve steady states, enabling comparisons with 1D models. We vary envelope properties to obtain both radiative and convective solutions. Using a passive scalar, we observe significant mass recycling on the orbital time-scale. For a radiative envelope, recycling can only penetrate from the disc surface until ∼0.1–0.2 planetary Hill radii, while for a convective envelope, the convective motion can ‘dredge up’ the deeper part of the envelope so that the entire convective envelope is recycled efficiently. This recycling, however, has only limited effects on the envelopes’ thermal structure. The radiative envelope embedded in the disc has identical structure as the isolated envelope. The convective envelope has a slightly higher density when it is embedded in the disc. We introduce a modified 1D approach which can fully reproduce our 3D simulations. With our updated opacity and 1D model, we recompute Jupiter’s envelope accretion with a 10 M⊕ core, and the time-scale to runaway accretion is shorter than the disc lifetime as in prior studies. Finally, we discuss the implications of the efficient recycling on the observed chemical abundances of the planetary atmosphere (especially for super-Earths and mini-Neptunes).

We present the public data release of the AbacusSummit cosmological N-body simulation suite, produced with the 𝙰𝚋𝚊𝚌𝚞𝚜 N-body code on the Summit supercomputer of the Oak Ridge Leadership Computing Facility. 𝙰𝚋𝚊𝚌𝚞𝚜 achieves (10−5) median fractional force error at superlative speeds, calculating 70M particle updates per second per node at early times, and 45M particle updates per second per node at late times. The simulation suite totals roughly 60 trillion particles, the core of which is a set of 139 simulations with particle mass 2×109h−1M⊙ in box size 2h−1Gpc. The suite spans 97 cosmological models, including Planck 2018, previous flagship simulation cosmologies, and a linear derivative and cosmic emulator grid. A sub-suite of 1883 boxes of size 500h−1Mpc is available for covariance estimation. AbacusSummit data products span 33 epochs from z=8 to 0.1 and include lightcones, full particle snapshots, halo catalogs, and particle subsets sampled consistently across redshift. AbacusSummit is the largest high-accuracy cosmological N-body data set produced to date.

Color centers in hexagonal boron nitride (hBN) are presently attracting broad interest as a novel platform for nanoscale sensing and quantum information processing. Unfortunately, their atomic structures remain largely elusive and only a small percentage of the emitters studied thus far has the properties required to serve as optically addressable spin qubits. Here, we use confocal fluorescence microscopy at variable temperature to study a new class of point defects produced via cerium ion implantation in thin hBN flakes. We find that, to a significant fraction, emitters show bright room-temperature emission, and good optical stability suggesting the formation of Ce-based point defects. Using density functional theory (DFT) we calculate the emission properties of candidate emitters, and single out the CeVB center - formed by an interlayer Ce atom adjacent to a boron vacancy - as one possible microscopic model. Our results suggest an intriguing route to defect engineering that simultaneously exploits the singular properties of rare-earth ions and the versatility of two-dimensional material hosts.

We present a tree tensor-network impurity solver suited for general multiorbital systems. The network is constructed to efficiently capture the entanglement structure and symmetry of an impurity problem. The solver works directly on the real-time/frequency axis and generates spectral functions with energy-independent resolution of the order of one percent of the correlated bandwidth. Combined with an optimized representation of the impurity bath, it efficiently solves self-consistent dynamical mean-field equations and calculates various dynamical correlation functions for systems with off-diagonal Green's functions. For the archetypal correlated Hund's metal Sr

We present ab initio absorption spectra of six three-dimensional semiconductors and insulators calculated using Gaussian-based periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD). The spectra are calculated efficiently by solving a system of linear equations at each frequency, giving access to an energy range of tens of eV without explicit enumeration of excited states. We assess the impact of Brillouin zone sampling, for which it is hard to achieve convergence due to the cost of EOM-CCSD. Although our most converged spectra exhibit lineshapes that are in good agreement with experiment, they are uniformly shifted to higher energies by about 1 eV. We tentatively attribute this discrepancy to a combination of vibrational effects and the remaining electron correlation, i.e., triple excitations and above.

Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of quantum algorithms that provide unbiased samples by preparing a state encoding the entire Gibbs distribution. We show that this approach leads to a speedup over a classical Markov chain algorithm for several examples including the Ising model and sampling from weighted independent sets of two different graphs. Our approach connects computational complexity with phase transitions, providing a physical interpretation of quantum speedup. Moreover, it opens the door to exploring potentially useful sampling algorithms on near-term quantum devices as the algorithm for sampling from independent sets on certain graphs can be naturally implemented using Rydberg atom arrays.

Drawing independent samples from a probability distribution is an important computational problem with applications in Monte Carlo algorithms, machine learning, and statistical physics. The problem can in principle be solved on a quantum computer by preparing a quantum state that encodes the entire probability distribution followed by a projective measurement. We investigate the complexity of adiabatically preparing such quantum states for the Gibbs distributions of various classical models including the Ising chain, hard-sphere models on different graphs, and a model encoding the unstructured search problem. By constructing a parent Hamiltonian, whose ground state is the desired quantum state, we relate the asymptotic scaling of the state preparation time to the nature of transitions between distinct quantum phases. These insights enable us to identify adiabatic paths that achieve a quantum speedup over classical Markov chain algorithms. In addition, we show that parent Hamiltonians for the problem of sampling from independent sets on certain graphs can be naturally realized with neutral atoms interacting via highly excited Rydberg states.

Despite the structural resemblance of certain cuprate and nickelate parent compounds there is a striking spread of T

Large-gap quantum spin Hall insulators are promising materials for room-temperature applications based on Dirac fermions. Key to engineer the topologically non-trivial band ordering and sizable band gaps is strong spin-orbit interaction. Following Kane and Mele's original suggestion, one approach is to synthesize monolayers of heavy atoms with honeycomb coordination accommodated on templates with hexagonal symmetry. Yet, in the majority of cases, this recipe leads to triangular lattices, typically hosting metals or trivial insulators. Here, we conceive and realize "indenene", a triangular monolayer of indium on SiC exhibiting non-trivial valley physics driven by local spin-orbit coupling, which prevails over inversion-symmetry breaking terms. By means of tunneling microscopy of the 2D bulk we identify the quantum spin Hall phase of this triangular lattice and unveil how a hidden honeycomb connectivity emerges from interference patterns in Bloch p

We derive distance-dependent estimators for two-center and three-center electron repulsion integrals over a short-range Coulomb potential, erfc(ωr