Research
Research
Research
Research
5,186+ open-access research outputs.
Accurate large-scale Kohn-Sham density functional theory (DFT) calculations are essential for modeling complex material systems, including interfaces, defects, nanoclusters, and twisted two-dimensiona…
Different gaugings of the global symmetry of a quantum field theory are closely related to its various phases. In this work, we study candidate gaugeable symmetries by analyzing candidate Lagrangian a…
Kohn-Sham (KS) eigenvalues are routinely compared with angle-resolved photoemission (ARPES) and used as input for many-body methods, yet density functional theory (DFT) assigns them no physical meanin…
Strongly correlated systems have long been a central and highly non-trivial topic in condensed matter physics. At the non-interacting level, strong correlation can be associated with powerful (near) d…
We derive exact dynamical fluctuation-response relations (FRRs) for time-integrated observables of any nonautonomous Markov jump process. The finite-time covariance splits into an initial variability …
Currently, quantum computing and artificial intelligence are driving revolutionary advancements in computational science. This study pioneers the integration of quantum kernel networks on smoothed par…
Among the group-IV vacancy color centers in diamond, the SnV holds promise for photonics based quantum applications. In this work, the Tin-Vacancy (SnV) zero-phonon line (ZPL) and its pressure coeffic…
Several theoretical and astrophysical problems - including gravitational-wave modeling for extreme mass-ratio inspirals - require accurate time-domain solutions of the spin-weight $s=-2$ Teukolsky equ…
The magnetic excitation spectrum of itinerant magnets exhibits rich and complex spectral features that often complicate interpretation of the underlying physics. For perturbations in the long waveleng…
We consider off-diagonal asymptotic series for integral kernels of functions of Laplace-type operators on curved backgrounds. These expansions are obtained by applying integral transforms to the DeWit…
QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within a unified object-or…
The M\"{u}ller boundary integral equation for penetrable electromagnetic scattering is conventionally discretized using divergence-conforming basis functions, a restriction inherited from the PMCHWT f…
Co80Ir20 ferromagnetic thin films have recently been the focus of intensive research because the negative magnetocrystalline anisotropy adds to the shape anisotropy and favors a strong alignment of th…
Quantum kernel methods have been proposed as a promising approach for leveraging near-term quantum computers for supervised learning, yet rigorous benchmarks against strong classical baselines remain …
We perform a model-independent investigation of the thermodynamic evolution of the Universe by reconstructing the expansion history from observational data using Gaussian Process regression. We consid…
Apparent slipping motions of flare ribbon kernels and the formation of hard X-ray (HXR) footpoints are important signatures of magnetic reconnection in solar flares. Ultraviolet (UV) and HXR ribbon em…
Kramers-Kronig (KK) relations are usually invoked for causal response functions, but their precise status for non-Markovian quantum memory kernels is less explicit. We separate three Laplace-domain ob…
We present a rigorous derivation and numerical validation of a universal projection-law factorization for quartic nonlinear coupling rates across physically distinct platforms. The central result is t…
Classical simulation of quantum operations is essential for algorithm design, noise characterisation, and benchmarking of quantum hardware. The most general physically realisable operation can be desc…
Collinear factorization and the leading-twist operator product expansion (OPE) in perturbative QCD express suitably inclusive observables in scale-separated kinematics as composites of perturbative sh…
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