SearcharxivSearch

arXiv subjects

Tong Jiang

Publications and source records attributed to Tong Jiang.

At least 19 recordsLinked to original sources

Ensemble-Based Residual Tests of GW231123 across Waveform Models

GW231123 is an exceptional gravitational wave event for which different waveform models yield significantly different inferred source parameters. Residual tests provide a direct way to assess whether each waveform model gives an adequate description of the observed signal. In this work, we extend the conventional residual-test methods by subtracting the 100 highest likelihood waveforms, rather than only the maximum likelihood waveform for each model, thereby propagating waveform reconstruction uncertainty into the residual analysis. This ensemble-based approach turns the residual test from a single waveform diagnostic into a robustness test over the local high likelihood waveform manifold. We further perform injection tests to quantify the detectability of cross-model waveform discrepancies in realistic detector noise. The large-scale implementation of these analyses is made possible by the high speed and low computational cost of our residual testing framework, which is based on three goodness-of-fit tests: the Kolmogorov-Smirnov test, the Anderson-Darling test, and Pearson's chi-squared test.

gr-qc

Delocalized Coupled-Cluster Theory for Polaron Structure and Dynamics

Polaron ground states and finite-temperature dynamics remain challenging to simulate because existing methods struggle to combine nonperturbative accuracy, systematic improvability, and scalability from models to materials-specific Hamiltonians. We introduce a translationally invariant variational coupled-cluster (CC) theory for polarons, termed delocalized CC (dCC), with closed-form energies at cost as low as $\mathcal{O}(N^3)$ and no phonon-number cutoff. dCC accurately describes the ground states of the one- and two-dimensional Holstein and Su--Schrieffer--Heeger (optical and bond) models and the Fr{\"o}hlich model, in close agreement with density matrix renormalization group (DMRG) and diagrammatic Monte Carlo benchmarks. A projected tangent-space response formalism built on the same ansatz yields electron-addition spectral functions and optical conductivities at zero and finite temperature. The resulting spectra agree well with DMRG, Lanczos, and neural-network quantum-state benchmarks while retaining a physically interpretable excitation hierarchy, and extend to two-dimensional lattices at finite temperature beyond the practical reach of these methods. The same framework applies directly to \textit{ab initio} electron--phonon matrix elements, yielding LiF electron- and hole-polaron binding energies that match state-of-the-art many-body calculations. These results establish dCC as a unified variational framework for polaron ground states and dynamics, from model systems to real materials.

cond-mat.mtrl-sci

First-Principles Origins of Charge Transport in Molecular Semiconductors

Charge transport governs organic transistors and photovoltaics, yet predicting it from atomic structure remains challenging. Electron--phonon interactions span disparate frequencies, strengths and spatial ranges, and collectively generate nonperturbative carrier dynamics. Existing methods regain tractability only by assuming a mechanism or reducing electron--phonon coupling to a few modes. We introduce a parameter-free framework that instead computes transport from ab initio electron--phonon Hamiltonians, propagating carriers across hundreds-of-molecule domains with the full phonon spectrum and letting transport regimes and bottlenecks emerge from nonperturbative Green--Kubo dynamics. Across five representative crystals, it captures measured mobilities, temperature exponents, and optical-conductivity fingerprints. Our results overturn the prevailing microscopic mechanism for DNTT, tracing its transient localization to correlated on-site disorder from acoustic phonons rather than independent hopping fluctuations. The resulting two-axis transport map provides design principles and highlights the underexplored phenacene family, exemplified by the high-mobility picene, as a promising direction.

cond-mat.mtrl-sci

3DTMDet: A Dual-Path Synergy Network of Transformer and SSM for 3D Object Detection in Point Clouds

A fundamental challenge in point cloud object detection lies in the conflict between the extreme sparsity of distant points and the need for remote context understanding. The existing methods typically use 1D serialization to expand the receptive field, which inevitably discards already scarce local geometric details and reduces detection of distant and small objects. To address this issue, we propose 3DTMDet, a novel detection network that synergistically combines state space models (Mamba) with Transformers. The core idea is to utilize SSM's linear complexity and advantages in long sequence modeling to effectively capture global interactions between sparse and distant points, while using Transformer modules with local attention to encode fine-grained geometric structures in local point sets, preserving accurate shape information. We propose the 3D Hybrid Mamba Transformer (3DHMT) block, which uses an SSM-Attention-SSM pipeline to balance global context understanding and local detail preservation, effectively alleviating the tension between receptive field enlargement and geometric preservation in remote detection. In addition, we introduced a voxel generation block inspired by LiDAR physics, which diffuses features along the sensor observation direction to reconstruct the complete object structure of occlusion and distant areas. Extensive experiments conducted on the KITTI and ONCE datasets have shown that 3DTMDet outperforms state-of-the-art detectors. The code is available at https://github.com/QiuBingwen/3DTMDet.

cs.CV

A Scalable Translationally Invariant Variational Theory of Ab Initio Polarons

We introduce a scalable, translationally invariant variational theory for ab initio polarons that remains applicable across coupling regimes without resorting to supercells. Our approach combines a momentum-projected Toyozawa-type wavefunction with a low-rank factorization of the electron-phonon kernel, enabling near-linear scaling with the number of $\mathbf{k}$-points while capturing both delocalized and self-trapped carriers. Benchmarks for the Fr\"ohlich model, LiF, and anatase and rutile TiO$_2$ yield accurate polaron binding energies, thermodynamic-limit band structures, and transparent real-space measures of polaron extent. For LiF, comparison with first-principles diagrammatic Monte Carlo (DiagMC) reveals close agreement for the weak-coupling electron-polaron ground state and band structure. However, in the hole-polaron of LiF, which is in the strong-coupling regime, we found a significant bias in DiagMC results. These results establish momentum-projected variational wavefunctions as a systematically improvable route to thermodynamic limit studies of polarons in real materials.

cond-mat.mtrl-sci

Strain-released epitaxy of GaN enabled by compliant single-crystalline metal foils

Heteroepitaxy conventionally relies on rigid crystalline substrates, implicitly assuming that lattice and thermal mismatch must be accommodated within the epitaxial layer, leading to residual strain and defects that worsen with increasing substrate size. Here we demonstrate a substrate-mediated strain-partitioning regime in which lattice and thermal mismatch are preferentially partitioned into the substrate rather than stored in the epitaxial layer. We report the epitaxial growth of single-crystalline GaN on mechanically compliant yet crystallographically ordered single-crystalline copper foils. Atomic-resolution microscopy, geometric phase analysis and density functional theory reveal that mismatch-induced stress is primarily screened by elastic deformation of the Cu lattice, accompanied by localized interfacial slip confined to a few atomic layers, leaving the AlN and GaN epilayers nearly strain-free despite large nominal mismatch. Leveraging this strain-released epitaxial platform, we further demonstrate dense GaN micro-light-emitting diode arrays that benefit from efficient vertical electrical conduction and thermal dissipation enabled by the metallic substrate. By establishing compliant single-crystal metal foils as a new substrate class, this work identifies mechanical contrast as an underexplored governing parameter in heteroepitaxial design, with implications extending beyond GaN.

cond-mat.mtrl-sci

Ab Initio Auxiliary-Field Quantum Monte Carlo in the Thermodynamic Limit

Ab initio auxiliary-field quantum Monte Carlo (AFQMC) is a systematically improvable many-body method, but its application to extended solids has been severely limited by unfavorable computational scaling and memory requirements that obstruct direct access to the thermodynamic and complete-basis-set limits. By combining tensor hypercontraction with $\mathbf{k}$-point symmetry, we reduce the computational and memory scaling of ab initio AFQMC for solids to $\mathcal O(N^3)$ and $\mathcal O(N^2)$, respectively, with an arbitrary basis, comparable to diffusion Monte Carlo. This enables direct and simultaneous thermodynamic-limit and complete-basis-set AFQMC calculations across insulating, metallic, and strongly correlated solids, without embedding, local approximations, empirical finite-size corrections, or composite schemes. Our results establish AFQMC as a general-purpose, systematically improvable alternative to diffusion Monte Carlo and coupled-cluster methods for predictive ab initio simulations of solids, enabling accurate energies and magnetic observables within a unified framework.

cond-mat.str-el

Scalable Solar-Blind Imaging Enabled by Single-Crystalline Beta-Ga2O3 Membranes on Silicon Backplanes

Ultrawide-bandgap semiconductors are attractive for solar-blind ultraviolet (UV) detection owing to their intrinsically low noise and high spectral selectivity, yet their deployment in large-area, high-density electronic imaging systems remains limited by a fundamental trade-off between material quality, device speed, and compatibility with high-density planar silicon readout circuits. Here, we report a membrane-enabled integration platform based on transferable single-crystalline beta-Ga2O3 that overcomes these constraints at the system level. By exploiting the weak interplanar bonding of beta-Ga2O3 (100) plane, we obtain wafer-scale freestanding single-crystalline membranes that enable vertically integrated photodiodes with sub-microsecond, non-persistent photoresponse and high UV-visible rejection. Crucially, we introduce a stitching-based membrane assembly strategy that decouples array resolution from the size of the source single-crystalline substrate, allowing high-resolution photodetector arrays to be integrated onto silicon thin-film-transistor backplanes. The modular assembled active-matrix UV imaging arrays exhibit uniform solar-blind response without image lag, in stark contrast to arrays based on amorphous or polycrystalline films. Beyond beta-Ga2O3, this membrane-enabled and stitching-based modular integration strategy provides a general route toward high-speed, high-resolution electronic imaging systems using transferable single-crystalline semiconductors.

cond-mat.mtrl-sci

Resolving the Body-Order Paradox of Machine Learning Interatomic Potentials

In many cases, the predictions of machine learning interatomic potentials (MLIPs) can be interpreted as a sum of body-ordered contributions, which is explicit when the model is directly built on neighbor density correlation descriptors, and implicit when the model captures the correlations through non-linear functions of low body-order terms. In both cases, the "effective body-orderedness" of MLIPs remains largely unexplained: how do the models decompose the total energy into body-ordered contributions, and how does their body-orderedness affect the accuracy and learning behavior? In answering these questions, we first discuss the complexities in imposing the many-body expansion on ab initio calculations at the atomic limit. Next, we train a curated set of MLIPs on datasets of hydrogen clusters and reveal the inherent tendency of the ML models to deduce their own, effective body-order trends, which are dependent on the model type and dataset makeup. Finally, we present different trends in the convergence of the body-orders and generalizability of the models, providing useful insights for the development of future MLIPs.

physics.chem-ph

Constraint on gravitational-wave polarizations for space-based detectors with time-delay interferometry

Probing extra polarizations in gravitational waves (GWs) with space-based detectors is the most direct method for testing theories of gravity. In this paper, by employing the second-generation time-delay interferometry (TDI) to cancel out the laser frequency noise in a rotating and flexing configuration with arm lengths varying linearly in time, we study the detectors' constraint ability on extra polarizations, and explore the impacts of TDI on the constraint of polarizations. Working in the parametrized post-Einstein (ppE) waveform framework, we find that the constraints on extra polarizations are significantly weaker than those for the tensor mode. For the tensor mode, the constraint ability for the detectors scales with signal-to-noise ratio (SNR). At low frequency, due to signal cancellation effects, the SNR registered is lower for the detectors with TDI method than that with the simplified equal-arm Michelson interferometer method. Therefore, tensor-mode constraints are degraded when TDI is applied. Although the direct detection of extra polarizations remains challenging, the constraint ability of the space-based detectors on the vector mode is better than the scalar modes. Besides, the detectability on extra polarizations will be enhanced with TDI, and the improvement of the constraint on the vector mode is less than scalar modes due to the inclination-dependent waveforms.

gr-qc

Ferroelectricity in 6 Angstrom-Thick Two-dimensional Ga$_2$O$_3$

Atomic-scale ferroelectric thin films hold great promise for high-density, low-power applications but face stability and voltage scaling challenges at extreme thinness. Here, we demonstrate ferroelectricity in single-crystalline two-dimensional (2D) Ga$_2$O$_3$, an ultra-wide-bandgap semiconductor, at just 6 angstrom thickness, exhibiting exceptional retention and thermal stability. We show that epitaxial beta-Ga$_2$O$_3$ can be exfoliated down to a half-unit cell thickness via a self-limiting mechanism, enabling a biaxial strain-induced phase transition into a novel ferroelectric layered structure. Strain modulation enables the reduction of polarization switching voltage to 0.8 V, meeting CMOS voltage scaling requirements. Theoretical calculations reveal that switching is driven by covalent bond reconstruction, effectively countering depolarization and enhancing stability. Additionally, we integrate ferroelectric 2D Ga$_2$O$_3$ onto silicon using a low-temperature, back-end-of-line-compatible process. This work advances the exploration of sub-nanometer ferroelectrics, paving the way for high-density, low-power, non-volatile applications seamlessly integrated with advanced silicon technology.

cond-mat.mtrl-sci

Wafer-scale Integration of Single-Crystalline MoS$_2$ for Flexible Electronics Enabled by Oxide Dry-transfer

Atomically thin, single-crystalline transition metal dichalcogenides (TMDCs) grown via chemical vapor deposition (CVD) on sapphire substrates exhibit exceptional mechanical and electrical properties, positioning them as excellent channel materials for flexible electronics. However, conventional wet-transfer processes for integrating these materials onto flexible substrates often introduce surface contamination, significantly degrading device performance. Here, we present a wafer-scale dry-transfer technique using a high-dielectric oxide as the transfer medium, enabling the integration of 4-inch single-crystalline MoS$_2$ onto flexible substrates. This method eliminates contact with polymers or solvents, thus preserving the intrinsic electronic properties of MoS$_2$. As a result, the fabricated flexible field-effect transistor (FET) arrays exhibit remarkable performance, with a mobility of 117 cm$^2$/Vs, a subthreshold swing of 68.8 mV dec$^{-1}$, and an ultra-high current on/off ratio of $10^{12}$-values comparable to those achieved on rigid substrates. Leveraging the outstanding electrical characteristics, we demonstrated MoS$_2$-based flexible inverters operating in the subthreshold regime, achieving both a high gain of 218 and ultra-low power consumption of 1.4 pW/$\mu$m. Additionally, we integrated a flexible tactile sensing system driven by active-matrix MoS$_2$ FET arrays onto a robotic gripper, enabling real-time object identification. These findings demonstrate the simultaneous achievement of high electrical performance and flexibility, highlighting the immense potential of single-crystalline TMDC-based flexible electronics for real-world applications.

physics.app-ph

Walking through Hilbert Space with Quantum Computers

Computations of chemical systems' equilibrium properties and non-equilibrium dynamics have been suspected of being a "killer app" for quantum computers. This review highlights the recent advancements of quantum algorithms tackling complex sampling tasks in the key areas of computational chemistry: ground state, thermal state properties, and quantum dynamics calculations. We review a broad range of quantum algorithms, from hybrid quantum-classical to fully quantum, focusing on the traditional Monte Carlo family, including Markov chain Monte Carlo, variational Monte Carlo, projector Monte Carlo, path integral Monte Carlo, etc. We also cover other relevant techniques involving complex sampling tasks, such as quantum-selected configuration interaction, minimally entangled typical thermal states, entanglement forging, and Monte Carlo-flavored Lindbladian dynamics. We provide a comprehensive overview of these algorithms' classical and quantum counterparts, detailing their theoretical frameworks and discussing the potentials and challenges in achieving quantum computational advantages.

quant-ph

Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures

ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has undergone substantial improvements since its initial release [J. Chem. Theory Comput., 2023, 19(1): 109-121]. This paper outlines the improved modularity and new capabilities implemented in ipie. We highlight the ease of incorporating different trial and walker types and the seamless integration of ipie with external libraries. We enable distributed Hamiltonian simulations of large systems that otherwise would not fit on single CPU node or GPU card. This development enabled us to compute the interaction energy of a benzene dimer with 84 electrons and 1512 orbitals with multi-GPUs. Using CUDA and cupy for NVIDIA GPUs, ipie supports GPU-accelerated multi-slater determinant trial wavefunctions [arXiv:2406.08314] to enable efficient and highly accurate simulations of large-scale systems. This allows for near-exact ground state energies of multi-reference clusters, [Cu$_2$O$_2$]$^{2+}$ and [Fe$_2$S$_2$(SCH$_3$)$_4$]$^{2-}$. We also describe implementations of free projection AFQMC, finite temperature AFQMC, AFQMC for electron--phonon systems, and automatic differentiation in AFQMC for calculating physical properties. These advancements position ipie as a leading platform for AFQMC research in quantum chemistry, facilitating more complex and ambitious computational method development and their applications.

physics.chem-ph

Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions

In this work, we report, for the first time, an implementation of fermionic auxiliary-field quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions, dubbed MPS-AFQMC. Calculating overlaps between an MPS trial and arbitrary Slater determinants up to a multiplicative error, a crucial subroutine in MPS-AFQMC, is proven to be #P-hard. Nonetheless, we tested several promising heuristics in successfully improving fermionic phaseless AFQMC energies. We also proposed a way to evaluate local energy and force bias evaluations free of matrix product operators. This allows for larger basis set calculations without significant overhead. We showcase the utility of our approach on one- and two-dimensional hydrogen lattices, even when the MPS trial itself struggles to obtain high accuracy. Our work offers a new set of tools that can solve currently challenging electronic structure problems with future improvements.

physics.chem-ph

Detecting new fundamental fields with Pulsar Timing Arrays

Strong evidence of the existence of the Stochastic Gravitational-Wave Background (SGWB) has been reported by the NANOGrav, PPTA, EPTA and CPTA collaborations. The Bayesian posteriors of the Gravitational-Wave Background (GWB) amplitude and spectrum are compatible with current astrophysical predictions for the GWB from the population of supermassive black hole binaries (SMBHBs). In this paper, we discuss the corrections arising from the extra scalar or vector radiation to the characteristic dimensionless strain in PTA experiments and explore the possibility to detect charges surrounding massive black holes, which could give rise to SGWB with vector or scalar polarizations. The parametrized frequency-dependent characteristic dimensionless strain is used to take a Bayesian analysis and the Bayes factor is also computed for charged and neutral SMBHBs. The Bayesian posterior of GWB tensor amplitude is $\log_{10} A_T=-14.85^{+0.26}_{-0.38}$ and spectral exponent $α=-0.60^{+0.32}_{-0.36}$. The Bayesian posterior for vector or scalar amplitude $A_{V, S}$ is nearly flat and there is nearly no constraint from the current observation data. The Bayesian factor is $0.71$ far less than 100, so the current observation can not support the existence of the charged SMBHB.

gr-qc

Sky localization of space-based detectors with time-delay interferometry

The accurate sky localization of gravitational wave (GW) sources is an important scientific goal for space-based GW detectors. The main differences between future space-based GW detectors, such as Laser Interferometer Space Antenna (LISA), Taiji, and TianQin, include the time-changing orientation of the detector plane, the arm length, the orbital period of the spacecraft and the noise curve. Because of the effects of gravity on three spacecraft, it is impossible to maintain the equality of the arm length, so the time-delay interferometry (TDI) method is needed to cancel out the laser frequency noise for space-based GW detectors. Extending previous work based on equal-arm Michelson interferometer, we explore the impacts of different first-generation TDI combinations and detector's constellations on the sky localization for monochromatic sources. We find that the sky localization power is almost unaffected by the inclusion of the TDI Michelson $(X, Y, Z)$ combination in the analysis. We also find that the variation in the sky localization power for different TDI combinations is entirely driven by the variation in the sensitivities of these combinations. For the six particular TDI combinations studied, the Michelson $(X, Y, Z)$ combination is the best for source localization.

gr-qc

Extreme mass ratio inspirals in galaxies with dark matter halos

Using an analytic, static, and spherically symmetric metric for a Schwarzschild black hole immersed in a dark matter (DM) halo with the Hernquist-type profile, we derive analytic expressions for the orbital period and precession of eccentric extreme mass ratio inspirals (EMRIs) surrounded by DM halos, and we show how the precession rates decrease and even undergo a prograde-to-retrograde precession transition if the density of DM halo is large enough. The presence of local DM halos also retards the decrease of the semi-latus rectum and the eccentricity. The orbital evolution of EMRIs immersed in DM halos is then calculated numerically by considering the combined effects of gravitational radiation reaction, dynamical friction, and accretion. Comparing the number of orbital cycles accumulated over a one-year evolution for EMRIs with and without DM halos, we find that DM halos with compactness as small as $10^{-5}$ can be detected. From the mismatch between gravitational waveforms of EMRIs with and without DM halos, we show that EMRIs in galaxies can be used to probe the existence of DM halos and detect the compactness of DM halos as small as $10^{-5}$. Employing the Fisher information matrix method, we find that larger compactness and density values of DM halos help to reduce the estimation error of parameters and further break the degeneracy between the parameters.

gr-qc