相关论文: Topological resolution of conical intersection sea…
Hybrid quantum-classical computing algorithms offer significant potential for accelerating the calculation of the electronic structure of strongly correlated molecules. In this work, we present the first quantum simulation of conical…
The geometric description of open quantum systems via the Quantum Geometric Tensor (QGT) traditionally relies on the assumption that the physical states form a differentiable vector bundle over the parameter manifold. This framework becomes…
Conical intersections (CIs) are pivotal in many photochemical processes. Traditional quantum chemistry methods, such as the state-average multi-configurational methods, face computational hurdles in solving the electronic Schr\"odinger…
The conventional technique for solving the equations of quantum chemistry (of solid state) is extended unconventionally to the structures possessing certain symmetries. This proposal concerns changing the way for selection of occupied…
Moir\'e and super-moir\'e materials provide exceptional platforms to engineer exotic correlated quantum matter. The vast number of sites required to model moir\'e systems in real space remains a formidable challenge due to the immense…
We investigate the electronic structure of methanimine (CH2NH) and water (H2O) molecules in an effort to locate conical intersections (CIs) using variational quantum algorithms. Our approach implements and compares a range of hybrid…
Topological holography is a holographic principle that describes the generalized global symmetry of a local quantum system in terms of a topological order in one higher dimension. This framework separates the topological data from the local…
We study the intersection theory of punctured pseudoholomorphic curves in $4$-dimensional symplectic cobordisms. We first study the local intersection properties of such curves at the punctures. We then use this to develop topological…
We review advancements in deep learning techniques for complete intersection Calabi-Yau (CICY) 3- and 4-folds, with the aim of understanding better how to handle algebraic topological data with machine learning. We first discuss…
We present a Melnikov type approach for establishing transversal intersections of stable/unstable manifolds of perturbed normally hyperbolic invariant manifolds (NHIMs). The method is based on a new geometric proof of the normally…
Conical intersections play central roles in photoinduced reactions. However, comprehensive conical-intersection datasets that could advance our understanding of excited-state reaction processes remain scarce. To address this gap, we…
Conical intersections are central to the description of photophysics and photochemistry. Nevertheless, in non-adiabatic molecular dynamics simulations, they are fundamentally challenging for single-reference electronic structure methods.…
The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained (in part) from momentum space. Recently, Real Space…
Topological quasiparticles of light, such as classical and quantum optical skyrmions, have so far relied on fully coherent or pure quantum states whose topology is encoded in the entanglement between polarization and two-dimensional spatial…
Characterizing non-Markovian quantum dynamics is currently hindered by the self-inconsistency and high computational complexity of existing quantum comb tomography (QCT) methods. In this work, we propose a self-consistent framework that…
We describe algorithms for finding harmonic cochains, an essential ingredient for solving elliptic partial differential equations in exterior calculus. Harmonic cochains are also useful in computational topology and computer graphics. We…
Let $V$ be a degree $d$, reduced hypersurface in $\mathbb{CP}^{n+1}$, $n \geq 1$, and fix a generic hyperplane, $H$. Denote by $\mathcal{U}$ the (affine) hypersurface complement, $\mathbb{CP}^{n+1}- V \cup H$, and let $\mathcal{U}^c$ be the…
Super-moir\'e materials represent a novel playground to engineer states of matter beyond the possibilities of conventional moir\'e materials. However, from the computational point of view, understanding correlated matter in these systems…
We study the sodium-iridates model on the honeycomb lattice with both BCS pairing potential and Hubbard interaction term. It is shown that this model can be exactly solved with appropriate choices of amplitude of pairing gaps, where the…
Topological quantum optical states in one-dimensional (1D) quasiperiodic cold atomic chains are studied in this work. We propose that by introducing incommensurate modulations on the interatomic distances of 1D periodic atomic chains, the…