arXiv subjects

Kornél Kapás

Publications and source records attributed to Kornél Kapás.

9 recordsLinked to original sources

arXiv2026

Diversifying time evolution of matrix product states using BUGs

Time evolution of tensor-network states is a central tool for studying nonequilibrium dynamics in strongly correlated quantum systems. In the past decade, using the time-dependent variational principle (TDVP) discretized by projector-splitting has become the gold standard for evolving matrix product states (MPS) with long-range Hamiltonians. More recently, a conceptually different class of discretizations of the TDVP, the class of Basis Update and Galerkin (BUG) integrators, has been developed within the framework of dynamical low-rank approximation, offering an alternative, more flexible approach. In this work, we formulate two BUG integrators explicitly for MPS. The BUG integrators result in "single-site" MPS integrators that are robust with respect to small singular values, avoid backward-in-time substeps, and naturally allow for the adaptive choice of bond dimensions. We consider the augmented BUG integrator of first order and the midpoint BUG integrator of second order and clarify their relation to the projector-splitting discretization of the TDVP. Using representative models of strongly correlated quantum systems, like the XY spin model with long-range interaction and two-dimensional lattice models of fermions and spins of various lengths, we perform a systematic numerical comparison between BUG and projector-splitting time discretizations of the continuous-time TDVP, focusing on scalability, numerical complexity, and accuracy. We find that BUG integrators, due to their reduced numerical cost and the flexibility of the concept, provide a competitive and, in certain regimes, advantageous alternative to the well-established time-stepping by projector-splitting in TDVP, especially in models with large local dimensions, and in cases where observables are extracted with high temporal resolution.

cond-mat.str-el↗

arXiv2026

Block entropy area based non-local fermionic mode optimization with gradient disentanglers

We introduce a systematic block entropy area based mode optimization algorithm for many-body quantum states of interacting fermions represented by matrix product states. From the gradient of a global cost function, the block entropy area, a long-ranged, non-interacting effective disentangler Hamiltonian is formed. We then simulate the time-dependent Schrödinger equation driven by the disentangler Hamiltonian by employing the time-dependent variational principle based on projector splitting, and minimize the cost function. The combination of the density matrix renormalization group with this gradient-based entanglement minimization forms an efficient low-rank iterative ground-state algorithm that also provides an optimized single-particle basis for matrix product state representation. We demonstrate the method on two-dimensional lattice models of interacting fermions and the Fe${_4}$S${_4}$ cluster, and show its robustness and superiority over earlier protocols using nearest-neighbor mode rotations and reorderings.

cond-mat.str-el↗

arXiv2026

Global fermionic mode optimization via swap gates

An optimal choice of single-particle modes leads to an optimal tensor network-based compression of the many-body wave function for systems of indistinguishable particles, which compression can be essential for large, close-to-critical systems. The proposed mode optimization relies on the minimization of the block entropy area, a global quantity that measures entanglement of the wave function along the one-dimensional chain of modes. Extension of the two-site DMRG algorithm by nearest-neighbor mode optimizations is straightforward, but it performs poorly without systematic reordering of modes. Moreover, finding a stationary optimal point in the combination of the fixed-rank MPS manifold and the unitary group of mode rotations requires optimization for every generator, i.e., for every two-mode pair. Here, a systematic joint optimization protocol over the MPS manifold and the full unitary group is presented in which every two-mode pair is accessed by a carefully constructed sequence of two-qubit operations, including swap-gate controlled permutations. Large-scale DMRG simulations of strongly correlated two-dimensional fermionic lattice models and the multireference Fe$_4$S$_4$ transition metal cluster demonstrate rapid convergence towards the optimum, achieving low energy and low entanglement.

cond-mat.str-el↗

arXiv2025

Real-Time Dynamics in a (2+1)-D Gauge Theory: The Stringy Nature on a Superconducting Quantum Simulator

Understanding the confinement mechanism in gauge theories and the universality of effective string-like descriptions of gauge flux tubes remains a fundamental challenge in modern physics. We probe string modes of motion with dynamical matter in a digital quantum simulation of a (2+1) dimensional gauge theory using a superconducting quantum processor with up to 144 qubits, stretching the hardware capabilities with quantum-circuit depths comprising up to 192 two-qubit layers. We realize the $Z_2$-Higgs model ($Z_2$HM) through an optimized embedding into a heavy-hex superconducting qubit architecture, directly mapping matter and gauge fields to vertex and link superconducting qubits, respectively. Using the structure of local gauge symmetries, we implement a comprehensive suite of error suppression, mitigation, and correction strategies to enable real-time observation and manipulation of electric strings connecting dynamical charges. Our results resolve a dynamical hierarchy of longitudinal oscillations and transverse bending at the end points of the string, which are precursors to hadronization and rotational spectra of mesons. We further explore multi-string processes, observing the fragmentation and recombination of strings. The experimental design supports 300,000 measurement shots per circuit, totaling 600,000 shots per time step, enabling high-fidelity statistics. We employ extensive tensor network simulations using the basis update and Galerkin method to predict large-scale real-time dynamics and validate our error-aware protocols. This work establishes a milestone for probing non-perturbative gauge dynamics via superconducting quantum simulation and elucidates the real-time behavior of confining strings.

quant-ph↗

arXiv2025

Orbital optimization of large active spaces via AI-accelerators

We present an efficient orbital optimization procedure that combines the highly GPU accelerated, spin-adapted density matrix renormalization group (DMRG) method with the complete active space self-consistent field (CAS-SCF) approach for quantum chemistry implemented in the ORCA program package. Leveraging the computational power of the latest generation of Nvidia GPU hardware, we perform CAS-SCF based orbital optimizations for unprecedented CAS sizes of up to 82 electrons in 82 orbitals [CAS(82,82)] in molecular systems comprising of active spaces sizes of hundreds of electrons in thousands of orbitals. For both the NVIDIA DGX-A100 and DGX-H100 hardware, we provide a detailed scaling and error analysis of our DMRG-SCF approach for benchmark systems consisting of polycyclic aromatic hydrocarbons and iron-sulfur complexes of varying sizes. Our efforts demonstrate for the first time that highly accurate DMRG calculations at large bond dimensions are critical for obtaining reliably converged CAS-SCF energies. For the more challenging iron-sulfur benchmark systems, we furthermore find the optimized orbitals of a converged CAS-SCF calculation to depend more sensitively on the DMRG parameters than those for the polycyclic aromatic hydrocarbons. The ability to obtain converged CAS-SCF energies and orbitals for active spaces of such large sizes within days reduces the challenges of including the appropriate orbitals into the CAS or selecting the correct minimal CAS, and may open up entirely new avenues for tackling strongly correlated molecular systems.

physics.chem-ph↗

arXiv2024

Two dimensional quantum lattice models via mode optimized hybrid CPU-GPU density matrix renormalization group method

We present a hybrid numerical approach to simulate quantum many body problems on two spatial dimensional quantum lattice models via the non-Abelian ab initio version of the density matrix renormalization group method on state-of-the-art high performance computing infrastructures. We demonstrate for the two dimensional spinless fermion model and for the Hubbard model on torus geometry that altogether several orders of magnitude in computational time can be saved by performing calculations on an optimized basis and by utilizing hybrid CPU-multiGPU parallelization. At least an order of magnitude reduction in computational complexity results from mode optimization, while a further order of reduction in wall time is achieved by massive parallelization. Our results are measured directly in FLOP and seconds. A detailed scaling analysis of the obtained performance as a function of matrix ranks and as a function of system size up to $12\times 12$ lattice topology is discussed. Our CPU-multiGPU model also tremendously accelerates the calculation of the one- and two-particle reduced density matrices, which can be used to construct various order parameters and trace quantum phase transitions with high fidelity.

cond-mat.str-el↗

arXiv2023

GRBAlpha: the smallest astrophysical space observatory -- Part 1: Detector design, system description and satellite operations

Aims. Since launched on 2021 March 22, the 1U-sized CubeSat GRBAlpha operates and collects scientific data on high-energy transients, making it the smallest astrophysical space observatory to date. GRBAlpha is an in-obit demonstration of a gamma-ray burst (GRB) detector concept suitably small to fit into a standard 1U volume. As it was demonstrated in a companion paper, GRBAlpha adds significant value to the scientific community with accurate characterization of bright GRBs, including the recent outstanding event of GRB 221009A. Methods. The GRB detector is a 75x75x5 mm CsI(Tl) scintillator wrapped in a reflective foil (ESR) read out by an array of SiPM detectors, multi-pixel photon counters by Hamamatsu, driven by two separate, redundant units. To further protect the scintillator block from sunlight and protect the SiPM detectors from particle radiation, we apply a multi-layer structure of Tedlar wrapping, anodized aluminium casing and a lead-alloy shielding on one edge of the assembly. The setup allows observations of gamma radiation within the energy range of 70-890 keV with an energy resolution of ~30%. Results. Here, we summarize the system design of the GRBAlpha mission, including the electronics and software components of the detector, some aspects of the platform as well as the current way of semi-autonomous operations. In addition, details are given about the raw data products and telemetry in order to encourage the community for expansion of the receiver network for our initiatives with GRBAlpha and related experiments.

astro-ph.IM↗

arXiv2021

Attitude determination for nano-satellites -- II. Dead reckoning with a multiplicative extended Kalman filter

This paper is the second part of a series of studies discussing a novel attitude determination method for nano-satellites. Our approach is based on the utilization of thermal imaging sensors to determine the direction of the Sun and the nadir with respect to the satellite with sub-degree accuracy. The proposed method is planned to be applied during the Cubesats Applied for MEasuring and LOcalising Transients (CAMELOT) mission aimed at detecting and localizing gamma-ray bursts with an efficiency and accuracy comparable to large gamma-ray space observatories. In this paper we introduce a simulation model aimed at testing the applicability of our attitude determination approach. Its first part simulates the orbit and rotation of a satellite with arbitrary initial conditions while its second part applies our attitude determination algorithm which is based on a multiplicative extended Kalman filter. The simulated satellite is assumed to be equipped with a GPS system, MEMS gyroscopes and the infrasensors. These instruments provide the required data input for the Kalman filter. We demonstrate the applicability of our attitude determination algorithm by simulating the motion of a nano-satellite on Low Earth Orbit. Our results show that the attitude determination may have a 1$σ$ error of $\sim30'$ even with a large gyroscope drift during the orbital periods when the infrasensors provide both the direction of the Sun and the Earth (the nadir). This accuracy is an improvement on the point source detection accuracy of the infrasensors. However, the attitude determination error can get as high as 25$^{\circ}$ during periods when the Sun is occulted by the Earth. We show that following an occultation period the attitude information is immediately recovered by the Kalman filter once the Sun is observed again.

astro-ph.IM↗

arXiv2021

Attitude determination for nano-satellites -- I. Spherical projections for large field of view infrasensors

Due to the advancement of nano-satellite technology, CubeSats and fleets of CubeSats can form an alternative to high-cost large-size satellite missions with the advantage of extended spatial coverage. One of these initiatives is the Cubesats Applied for MEasuring and LOcalising Transients (CAMELOT) mission concept, aimed at detecting and localizing gamma-ray bursts with an efficiency and accuracy comparable to large gamma-ray space observatories. While precise attitude control is not necessary for such a mission, attitude determination is an important issue in the interpretation of scintillator detector data as well as optimizing downlink telemetry. The employment of star trackers is not always a viable option for such small satellites, hence another alternative is necessary. A new method is proposed in this series of papers, utilizing thermal imaging sensors to provide simultaneous measurement of the attitude of the Sun and the horizon by employing a homogeneous array of such detectors. The combination with Sun and horizon detection w.r.t. the spacecraft would allow the full 3-DoF recovery of its attitude. In this paper we determine the spherical projection function of the MLX90640 infrasensors planned to be used for this purpose. We apply a polynomial transformation with radial corrections to map the spatial coordinates to the sensor plane. With the determined projection function the location of an infrared point source can be determined with an accuracy of ~40', well below the design goals of a nano-satellite designed for gamma-ray detection.

astro-ph.IM↗