Publications

Broken symmetries induce strong even-order nonlinear optical responses in materials and at interfaces. Unlike conventional covalently bonded nonlinear crystals, van der Waals (vdW) heterostructures feature layers that can be stacked at arbitrary angles, giving complete control over the presence or lack of inversion symmetry at a crystal interface. Here, we report highly tunable second harmonic generation (SHG) from nanomechanically rotatable stacks of bulk hexagonal boron nitride (BN) crystals and introduce the term twistoptics to describe studies of optical properties in twistable vdW systems. By suppressing residual bulk effects, we observe SHG intensity modulated by a factor of more than 50, and polarization patterns determined by moiré interface symmetry. Last, we demonstrate greatly enhanced conversion efficiency in vdW vertical superlattice structures with multiple symmetry-broken interfaces. Our study paves the way for compact twistoptics architectures aimed at efficient tunable frequency conversion and demonstrates SHG as a robust probe of buried vdW interfaces.

We present an analysis of 1524 spectra of Vega spanning 10 years, in which we search for periodic radial velocity variations. A signal with a periodicity of 0.676 days and a semi-amplitude of ~10 m/s is consistent with the rotation period measured over much shorter time spans by previous spectroscopic and spectropolarimetric studies, confirming the presence of surface features on this A0 star. The timescale of evolution of these features can provide insight into the mechanism that sustains the weak magnetic fields in normal A type stars. Modeling the radial velocities with a Gaussian process using a quasi-periodic kernel suggests that the characteristic spot evolution timescale is ~180 days, though we cannot exclude the possibility that it is much longer. Such long timescales may indicate the presence of failed fossil magnetic fields on Vega. TESS data reveal Vega's photometric rotational modulation for the first time, with a total amplitude of only 10 ppm, and a comparison of the spectroscopic and photometric amplitudes suggest the surface features may be dominated by bright plages rather than dark spots. For the shortest orbital periods, transit and radial velocity injection recovery tests exclude the presence of transiting planets larger than 2 Earth radii and most non-transiting giant planets. At long periods, we combine our radial velocities with direct imaging from the literature to produce detection limits for Vegan planets and brown dwarfs out to distances of 15 au. Finally, we detect a candidate radial velocity signal with a period of 2.43 days and a semi-amplitude of 6 m/s. If caused by an orbiting companion, its minimum mass would be ~20 Earth masses; because of Vega's pole-on orientation, this would correspond to a Jovian planet if the orbit is aligned with the stellar spin. We discuss the prospects for confirmation of this candidate planet.

We introduce a new general-purpose time-dependent ionisation network (IN) and a radiation transport (RT) module in the magneto-hydrodynamic (MHD) code PLUTO. Our ionisation network is reliable for temperatures ranging from 5e3 to 3e8 K, and includes all ionisation states of H, He, C, N, O, Ne, Mg, Si, S and Fe making it suitable for studying a variety of astrophysical scenarios. Radiation loss for each ion-electron pair is calculated using CLOUDY-17 data on-the-fly. Photo-ionisation and charge exchange are the chemical heating mechanisms. The IN is fully coupled to the radiation transport module over a very large range of opacities at different frequencies. The RT module employs a method of short characteristics assuming spherical symmetry. The radiation module requires the assumption of spherical symmetry, while the IN is compatible with full 3D. We also include a simple prescription for dust opacity, grain destruction, and the dust contribution to radiation pressure. We present numerical tests to show the reliability and limitations of the new modules. We also present a post-processing tool to calculate projected column densities and emission spectra.

We present an extension of constrained-path auxiliary-field quantum Monte Carlo (CP-AFQMC) for the treatment of correlated electronic systems coupled to phonons. The algorithm follows the standard CP-AFQMC approach for description of the electronic degrees of freedom while phonons are described in first quantization and propagated via a diffusion Monte Carlo approach. Our method is tested on the one- and two-dimensional Holstein and Hubbard-Holstein models. With a simple semiclassical trial wavefunction, our approach is remarkably accurate for ω/(2dtλ) < 1 for all parameters in the Holstein model considered in this study. In addition, we empirically show that the autocorrelation time scales as 1/ω for ω/t 1, which is an improvement over the 1/ω

The most popular algorithm for the nonuniform fast Fourier transform (NUFFT) uses the dilation of a kernel $\phi$ to spread (or interpolate) between given nonuniform points and a uniform upsampled grid, combined with an FFT and diagonal scaling (deconvolution) in frequency space. The high performance of the recent FINUFFT library is in part due to its use of a new ``exponential of semicircle'' kernel $\phi(z)=e^{\beta \sqrt{1-z^2}}$, for $z\in[-1,1]$, zero otherwise, whose Fourier transform $\hat\phi$ is unknown analytically. We place this kernel on a rigorous footing by proving an aliasing error estimate which bounds the error of the one-dimensional NUFFT of types 1 and 2 in exact arithmetic. Asymptotically in the kernel width measured in upsampled grid points, the error is shown to decrease with an exponential rate arbitrarily close to that of the popular Kaiser--Bessel kernel. This requires controlling a conditionally-convergent sum over the tails of $\hat\phi$, using steepest descent, other classical estimates on contour integrals, and a phased sinc sum. We also draw new connections between the above kernel, Kaiser--Bessel, and prolate spheroidal wavefunctions of order zero, which all appear to share an optimal exponential convergence rate.

Convolutional neural networks (CNN) have become a standard approach for modeling genomic sequences. CNNs can be effectively built by Neural Architecture Search (NAS) by trading computing power for accurate neural architectures. Yet, the consumption of immense computing power is a major practical, financial, and environmental issue for deep learning. Here, we present a novel NAS framework,
AMBIENT, that generates highly accurate CNN architectures for biological sequences of diverse functions, while substantially reducing the computing cost of conventional NAS.

Blazars emit a highly variable non-thermal spectrum. It is usually assumed that the same non-thermal electrons are responsible for the IR-optical-UV emission (via synchrotron) and the gamma-ray emission (via inverse Compton). Hence, the light curves in the two bands should be correlated. Orphan gamma-ray flares (i.e. lacking a luminous low-frequency counterpart) challenge our theoretical understanding of blazars. By means of large-scale two-dimensional radiative particle-in-cell simulations, we show that orphan gamma-ray flares may be a self-consistent by-product of particle energization in turbulent magnetically dominated pair plasmas. The energized particles produce the gamma-ray flare by inverse Compton scattering an external radiation field, while the synchrotron luminosity is heavily suppressed since the particles are accelerated nearly along the direction of the local magnetic field. The ratio of inverse Compton to synchrotron luminosity is sensitive to the initial strength of turbulent fluctuations (a larger degree of turbulent fluctuations weakens the anisotropy of the energized particles, thus increasing the synchrotron luminosity). Our results show that the anisotropy of the non-thermal particle population is key to modelling the blazar emission.

Stars with peculiar element abundances are important markers of chemical enrichment mechanisms. We present a simple method, tangent space projection (TSP), for the detection of X-enriched stars, for arbitrary elements X, even from blended lines. Our method does not require stellar labels, but instead directly estimates the counterfactual unrenriched spectrum from other unlabelled spectra. As a case study, we apply this method to the 6708 Å Li doublet in LAMOST DR5, identifying 8,428 Li-enriched stars seamlessly across evolutionary state. We comment on the explanation for Li-enrichement for different subpopulations, including planet accretion, nonstandard mixing, and youth.

Lyman-α (Lyα) emitting galaxies are powerful tools to probe the late stages of cosmic reionization. The observed sudden drop in Lyα fraction at z>6 is often interpreted as a sign of reionization, since the intergalactic medium (IGM) is more neutral and opaque to Lyα photons. Crucially, this interpretation of the observations is only valid under the assumption that galaxies themselves experience a minimal evolution at these epochs. By modelling Lyα radiative transfer effects in and around galaxies, we examine whether a change in the galactic properties can reproduce the observed drop in the Lyα fraction. We find that an increase in the galactic neutral hydrogen content or a reduction in the outflow velocity toward higher redshift both lead to a lower Lyα escape fraction, and can thus mimic an increasing neutral fraction of the IGM. We furthermore find that this change in galactic properties leads to systematically different Lyα spectra which can be used to differentiate the two competing effects. Using the CANDELSz7 survey measurements which indicate slightly broader lines at z∼6, we find that the scenario of a mere increase in the galactic column density towards higher z is highly unlikely. We also show that a decrease in outflow velocity is not ruled out by existing data but leads to more prominent blue peaks at z>6. Our results caution the use of Lyα observations to estimate the IGM neutral fraction without accounting for the potential change in the galactic properties, e.g., by mapping out the evolution of Lyα spectral characteristics.