arXiv subjects

Eun-Ah Kim

Publications and source records attributed to Eun-Ah Kim.

At least 19 recordsLinked to original sources

arXiv2026

Graphlet Histogram Representation Database of Inorganic Crystals

Machine learning models for materials property prediction increasingly rely on representations learned end-to-end from large density-functional-theory databases, limiting their applicability when only scarce experimental data are available. Domain-knowledge-driven representations precomputed from crystal structures alone offer a data-efficient, interpretable alternative, but existing approaches capture at most composition or bonding connectivity and discard local structural geometry. Here, we present Graphlet-MP, a database of graphlet histogram representations for 149,082 inorganic crystals from the Materials Project (MP). Seventy-nine distributions describe each material over three hierarchical graphlet orders: atomic sites, bonded pairs, and bond-angle triplets, extracted via screened Voronoi tessellation from the crystallographic information file. We provide a complete technical specification of the representation, an Earth Mover's Distance metric for comparing materials in this space, and the full precomputed database. An accompanying open-source codebase enables users to generate graphlet histograms for arbitrary crystal structures, including experimentally determined ones, and to extend the database to new materials or target properties.

cond-mat.mtrl-sci↗

arXiv2026

Rigorous estimation of error thresholds of transversal Clifford logical circuits

The threshold theorem promises a path to fault-tolerant quantum computation, provided the physical error rate is below a critical threshold. While transversal gates efficiently implement logical operations, they propagate errors and can lower this threshold relative to a static quantum memory. In this work, we generalize the statistical-mechanical (stat-mech) mapping from quantum memories to logical circuits with transversal gates, thereby enabling rigorous, decoder-independent thresholds for fault-tolerant logical computation. We first demonstrate the framework for two toric code blocks undergoing a transversal CNOT (tCNOT) gate, quantifying two independent error-spreading mechanisms. For persistent bit-flip errors with perfect syndromes, the stat-mech model is a 2D random Ashkin-Teller model. Monte Carlo simulation and finite-size scaling show that the tCNOT reduces the optimal bit-flip threshold to $p=0.080$, a $26\%$ decrease from the toric code memory threshold $p=0.109$. With syndrome errors included, the circuit maps to a 3D random 4-body Ising model with a plane defect, yielding a conservative estimate $p\geq 0.028$, a modest $15\%$ reduction from the memory threshold $p=0.033$. Beyond the tCNOT gate, we derive stat-mech models for all transversal Clifford gates of the toric code, including the fold-transversal Hadamard and $S$ gates, and generalize the framework to arbitrary CSS codes, proving that each transversal gate modifies the stat-mech model only locally in time. By reducing threshold analysis of fault-tolerant logical circuits to the study of classical spin models with local defects, our framework provides a systematic, decoder-independent benchmark for near-term fault-tolerant architectures.

quant-ph↗

arXiv2026

CMT-Benchmark: A Benchmark for Condensed Matter Theory Built by Expert Researchers

Large language models (LLMs) have shown remarkable progress in coding and math problem-solving, but evaluation on advanced research-level problems in hard sciences remains scarce. To fill this gap, we present CMT-Benchmark, a dataset of 50 problems covering condensed matter theory (CMT) at the level of an expert researcher. Topics span analytical and computational approaches in quantum many-body, and classical statistical mechanics. The dataset was designed and verified by a panel of expert researchers from around the world. We built the dataset through a collaborative environment that challenges the panel to write and refine problems they would want a research assistant to solve, including Hartree-Fock, exact diagonalization, quantum/variational Monte Carlo, density matrix renormalization group (DMRG), quantum/classical statistical mechanics, and model building. We evaluate LLMs by programmatically checking solutions against expert-supplied ground truth. We developed machine-grading, including symbolic handling of non-commuting operators via normal ordering. They generalize across tasks too. Our evaluations show that frontier models struggle with all of the problems in the dataset, highlighting a gap in the physical reasoning skills of current LLMs. Notably, experts identified strategies for creating increasingly difficult problems by interacting with the LLMs and exploiting common failure modes. The best model, GPT5, solves 30\% of the problems; average across 17 models (GPT, Gemini, Claude, DeepSeek, Llama) is 11.4\pm2.1\%. Moreover, 18 problems are solved by none of the 17 models, and 26 by at most one. These unsolved problems span Quantum Monte Carlo, Variational Monte Carlo, and DMRG. Answers sometimes violate fundamental symmetries or have unphysical scaling dimensions. We believe this benchmark will guide development toward capable AI research assistants and tutors.

cs.LG↗

arXiv2025

Supernematic

Quantum theory of geometrically frustrated systems is usually approached as a gauge theory where the local conservation law becomes the Gauss law. Here we show that it can do something fundamentally different: enforce a global conserved quantity via a non-perturbative tiling invariant, rigorously linking microscopic geometry to a new macroscopically phase-coherent state. In a frustrated bosonic model on the honeycomb lattice in the cluster-charging regime at fractional filling, this mechanism protects a conserved global quantum number, the sublattice polarization $\tilde{N} = N_A - N_B$. Quantum fluctuation drives the spontaneous symmetry breaking of this global U(1) symmetry to result in a supernematic (SN) phase -- an incompressible yet phase-coherent quantum state that breaks rotational symmetry without forming a superfluid or realizing topological order. This establishes a route to a novel quantum many-body state driven by combinatorial constraints.

cond-mat.str-el↗

arXiv2025

Expert Evaluation of LLM World Models: A High-$T_c$ Superconductivity Case Study

Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the literature at the level of an expert. We construct an expert-curated database of 1,726 scientific papers that covers the history of the field, and a set of 67 expert-formulated questions that probe deep understanding of the literature. We then evaluate six different LLM-based systems for answering these questions, including both commercially available closed models and a custom retrieval-augmented generation (RAG) system capable of retrieving images alongside text. Experts then evaluate the answers of these systems against a rubric that assesses balanced perspectives, factual comprehensiveness, succinctness, and evidentiary support. Among the six systems two using RAG on curated literature outperformed existing closed models across key metrics, particularly in providing comprehensive and well-supported answers. We discuss promising aspects of LLM performances as well as critical short-comings of all the models. The set of expert-formulated questions and the rubric will be valuable for assessing expert level performance of LLM based reasoning systems.

cond-mat.supr-con↗

arXiv2025

Electron-affinity difference distributions as an organizing principle for superconductivity, enabling the discovery of PtPb$_3$Bi

Predicting the superconducting transition temperature ($T_c$) from crystal structure and composition remains a central challenge in condensed-matter physics, reflecting the absence of a broadly predictive framework connecting microscopic bonding to macroscopic quantum behavior. Here, we introduce $\mathcal{GP}$-$T_c$, an interpretable, structure- and chemistry-aware Gaussian process model that enables uncertainty-quantified $T_c$ prediction from experimentally accessible inputs. By encoding local bonding environments as graphlet histograms, we find that the predictive space collapses to a compact set of descriptors: the distribution of electron-affinity (EA) differences between neighboring atoms, together with interatomic distances and simple elemental features, suffices to predict $T_c$ across disparate superconducting families---identifying an overlooked chemical control parameter that underscores the essential role of local structure beyond composition-only approaches. Our results demonstrate that the EA differences serves as an accessible window into electronic structure providing a mechanism-agnostic physical basis that captures $T_c$ across conventional and unconventional families, including doped charge transfer insulators. $\mathcal{GP}$-$T_c$ reproduces the experimentally reported $T_c$ range of the infinite-layer nickelate Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, and we predict and experimentally confirm superconductivity in stoichiometric PtPb$_3$Bi ($T_c \approx 3$~K). To facilitate broad community use, $\mathcal{GP}$-$T_c$ is made available through a web interface for crystal-structure-based prediction, and the same framework identifies additional high-priority superconducting candidates---including SrNiO$_2$ and K(PRh)$_2$---that provide concrete targets for ongoing and future experimental exploration.

cond-mat.supr-con↗

arXiv2025

Melting point depression of charge density wave in 1T-TiSe$_2$ due to size effects

Classical nucleation theory predicts size-dependent nucleation and melting due to surface and confinement effects at the nanoscale. In correlated electronic states, observation of size-dependent nucleation and melting is rarely reported, likely due to the extremely small length scales necessary to observe such effects for electronic states. Here, using 1T-TiSe$_2$ nanoflakes as a prototypical two-dimensional (2D) charge density wave (CDW) system, we perform in-situ cryogenic electron microscopy with temperature down to 20 K and observe size-dependent nucleation and melting of CDWs. Specifically, we observe a melting point depression of CDW for 1T-TiSe$_2$ flakes with lateral sizes less than 100 nm. By fitting experimental data to a Ginzburg-Landau model, we estimate a zero-temperature correlation length of 10--50 nm, which matches the reported CDW domain size for 1T-TiSe$_2$. As the flake size approaches the correlation length, the divergence of the CDW correlation length near the transition is cut off by the finite flake size, limiting long-range order and thereby lowering the transition temperature. For very small flakes whose size is close to the correlation length, we also observe absence of CDWs, as predicted by the model. We thus show that an electronic phase transition follows classical nucleation theory.

cond-mat.mtrl-sci↗

arXiv2025

Learning measurement-induced phase transitions using attention

Measurement-induced phase transitions (MIPTs) epitomize new intellectual pursuits inspired by the advent of quantum hardware and the emergence of discrete and programmable circuit dynamics. Nevertheless, experimentally observing this transition is challenging, often requiring non-scalable protocols, such as post-selecting measurement trajectories or relying on classical simulations. We introduce a scalable data-centric approach using Quantum Attention Networks (QuAN) to detect MIPTs without requiring post-selection or classical simulation. Applying QuAN to dynamics generated by Haar random unitaries and weak measurements, we first demonstrate that it can pinpoint MIPTs using their interpretation as "learnability" transitions, where it becomes possible to distinguish two different initial states from the measurement record, locating a phase boundary consistent with exact results. Motivated by sample efficiency, we consider an alternative "phase recognition" task-classifying weak- and strong-monitoring data generated from a single initial state. We find QuAN can provide an efficient and noise-tolerant upper bound on the MIPT based on measurement data alone by coupling Born-distribution-level (inter-trajectory) and dynamical (temporal) attention. In particular, our inspection of the inter-trajectory scores of the model trained with minimal sample size processing test data confirmed that QuAN paid special attention to the tail of the distribution of the Born probabilities at early times. This reassuring interpretation of QuAN's learning implies the phase-recognition approach can meaningfully signal MIPT in an experimentally accessible manner. Our results lay the groundwork for observing MIPT on near-term quantum hardware and highlight attention-based architectures as powerful tools for learning complex quantum dynamics.

quant-ph↗

arXiv2025

Emblems of pair density waves: dual identity of topological defects and their transport signatures

The pair density wave (PDW) exemplifies intertwined orders in strongly correlated systems. A recent discovery of superconductivity in a quarter-metal state offers the first experimental system where a pure PDW without uniform superconductivity is suspected, offering a unique opportunity to examine the consequences of intertwined orders. A pure two-dimensional PDW supports an unusual fractional excitation as its topological defect (TD). A TD simultaneously winds the phase of the Cooper pair and distorts the amplitude modulation -- a dual role reflecting its intertwined character. As a vortex, a TD carries fractional vorticity of $\frac{1}{3} h/2e$, whose movement would cause resistance. As a crystalline defect, a TD can be sourced by charge disorder in the system. We show that experimentally observed resistive switching can originate from mobile TDs, while a small magnetic field will restore zero resistance by blocking their motion. The resulting resistive state exhibits extreme anisotropy and a Hall response, with the Hall angle determined by the angle between the current and the TD's Burgers vector. These features will serve as confirmation of the dual identity of topological defects as emblems of PDW order.

cond-mat.supr-con↗

arXiv2025

CURIE: Evaluating LLMs On Multitask Scientific Long Context Understanding and Reasoning

Scientific problem-solving involves synthesizing information while applying expert knowledge. We introduce CURIE, a scientific long-Context Understanding,Reasoning and Information Extraction benchmark to measure the potential of Large Language Models (LLMs) in scientific problem-solving and assisting scientists in realistic workflows. This benchmark introduces ten challenging tasks with a total of 580 problems and solution pairs curated by experts in six disciplines - materials science, condensed matter physics, quantum computing, geospatial analysis, biodiversity, and proteins - covering both experimental and theoretical work-flows in science. We evaluate a range of closed and open LLMs on tasks in CURIE which requires domain expertise, comprehension of long in-context information,and multi-step reasoning. While Gemini Flash 2.0 and Claude-3 show consistent high comprehension across domains, the popular GPT-4o and command-R+ fail dramatically on protein sequencing tasks. With the best performance at 32% there is much room for improvement for all models. We hope that insights gained from CURIE can guide the future development of LLMs in sciences. Evaluation code and data are in https://github.com/google/curie

cs.CL↗

arXiv2025

How quantum fluctuations freeze a classical liquid and then melt it into a topological one

Topologically ordered quantum liquids are highly sought-after quantum phases of matter, and recently, fractional Chern insulators (FCIs) joined the few experimental realizations of such phases. Here, we ask whether a gapped classical, highly degenerate liquid can be the birthplace of FCIs upon the addition of suitable quantum fluctuations. Two competing tendencies can be anticipated: (i) following the quantum order-by-disorder paradigm, quantum fluctuations could induce symmetry-breaking (charge) order, or (ii) the classical liquid builds up long-range entanglement and turns into a quantum liquid. We study spinless fermions on a honeycomb lattice subject to cluster-charging interactions and introduce quantumness through a Haldane kinetic term, featuring complex second-nearest-neighbor hopping. Based on extensive exact diagonalization calculations and high-order perturbation theory, we find that neither scenario (i) nor (ii) prevails, but (i) and (ii) manifest sequentially as the kinetic energy is increased. We demonstrate how the gradual lifting of kinematic constraints gives rise to this sequence of phases. Our results relate to the regime of intermediate-scale interactions present in moiré systems, where band projections are not suitable to model FCIs and competing charge-ordered phases have been identified.

cond-mat.str-el↗

arXiv2025

Learning to decode logical circuits

With the development of quantum hardware bringing the error-corrected quantum circuits to the near future, the lack of an efficient polynomial-time decoding algorithms for logical circuits presents a critical bottleneck. While quantum memory decoding has been well-studied, inevitable correlated errors introduced by entangling logical gates prevent the straightforward generalization of quantum memory decoders. We introduce a data-centric modular decoder framework, Multi-Core Circuit Decoder (MCCD), consisting of decoder modules corresponding to each logical operation supported by the quantum hardware. The MCCD handles both single-qubit and entangling gates within a unified framework. We train MCCD using mirror-symmetric random Clifford circuits, demonstrating its ability to effectively learn correlated decoding patterns. Through extensive testing on circuits significantly deeper than those used in training, we show that MCCD maintains high logical accuracy while exhibiting competitive polynomial decoding time across increasing circuit depths and code distances. When compared with conventional decoders like Minimum Weight Perfect Matching (MWPM), Most Likely Error (MLE), and Belief Propagation with Ordered Statistics Post-processing (BP-OSD), MCCD achieves competitive accuracy with substantially better time efficiency, particularly for circuits with entangling gates. Our approach represents a noise-model agnostic solution to the decoding challenge for deep logical quantum circuits.

quant-ph↗

arXiv2025

Realizing string-net condensation: Fibonacci anyon braiding for universal gates and sampling chromatic polynomials

The remarkable complexity of the vacuum state of a topologically-ordered many-body quantum system encodes the character and intricate braiding interactions of its emergent particles, the anyons.} Quintessential predictions exploiting this complexity use the Fibonacci string-net condensate (Fib-SNC) and its Fibonacci anyons to go beyond classical computing. Sampling the Fib-SNC wavefunction is expected to yield estimates of the chromatic polynomial of graph objects, a classical task that is provably hard. At the same time, exchanging anyons of Fib-SNC is expected to allow fault-tolerant universal quantum computation. Nevertheless, the physical realization of Fib-SNC and its anyons remains elusive. Here, we introduce a scalable dynamical string-net preparation (DSNP) approach, suitable even for near-term quantum processors, which dynamically prepares Fib-SNC and its anyons through reconfigurable graphs. Using a superconducting quantum processor, we couple the DSNP approach with composite error-mitigation on deep circuits to successfully create, measure, and braid anyons of Fib-SNC in a scalable manner. We certify the creation of anyons by measuring their `anyon charge', finding an average experimental accuracy of $94\%$. Furthermore, we validate that exchanging these anyons yields the { expected} golden ratio~$ϕ$ with~$98\%$ average accuracy and~$8\%$ measurement uncertainty. Finally, we sample the Fib-SNC to estimate the chromatic polynomial at~$ϕ+2$ for {several} graphs. Our results establish the proof of principle for using Fib-SNC and its anyons for fault-tolerant universal quantum computation and {for aiming at} a classically-hard problem.

quant-ph↗

arXiv2024

Attention to Quantum Complexity

The imminent era of error-corrected quantum computing urgently demands robust methods to characterize complex quantum states, even from limited and noisy measurements. We introduce the Quantum Attention Network (QuAN), a versatile classical AI framework leveraging the power of attention mechanisms specifically tailored to address the unique challenges of learning quantum complexity. Inspired by large language models, QuAN treats measurement snapshots as tokens while respecting their permutation invariance. Combined with a novel parameter-efficient mini-set self-attention block (MSSAB), such data structure enables QuAN to access high-order moments of the bit-string distribution and preferentially attend to less noisy snapshots. We rigorously test QuAN across three distinct quantum simulation settings: driven hard-core Bose-Hubbard model, random quantum circuits, and the toric code under coherent and incoherent noise. QuAN directly learns the growth in entanglement and state complexity from experimentally obtained computational basis measurements. In particular, it learns the growth in complexity of random circuit data upon increasing depth from noisy experimental data. Taken to a regime inaccessible by existing theory, QuAN unveils the complete phase diagram for noisy toric code data as a function of both noise types. This breakthrough highlights the transformative potential of using purposefully designed AI-driven solutions to assist quantum hardware.

quant-ph↗

arXiv2024

Bionic fractionalization in the trimer model of twisted bilayer graphene

Motivated by the rapid experimental progress in twisted van der Waals materials, we study the triangular trimer model as a representative framework for extended Wannier orbitals in twisted bilayer graphene at 1/3-filling. This deceptively simple model exhibits a rich suite of complex phases, including unusual excitations exhibiting the physics of fractionalization and fractons. For our investigations, we carry out extensive Monte Carlo simulations using an efficient cluster algorithm. The so-obtained finite-temperature phase diagram reveals a novel polar fluid and an ordered brick-wall phase characterized by fractionally charged $e/3$ excitations with subdimensional lineonic dynamics. Notably, we identify a critical trimer liquid phase for the particularly simple model of hard trimers. For this, we derive a new field theory which takes the form of a U(1)$\times$U(1) gauge theory. Its $e/3$ monomers are fractionalized bionic excitations: they carry a {\it pair} of emergent gauge charges, as evidenced by algebraic correlations with two distinct exponents. These field theoretical predictions offer theoretical grounds for numerical observations of critical exponents. Our study highlights the triangular trimer model as a new key platform for investigating fractionalization and fractons, where trimer liquid bionic monomers can transform into lineons or fractons in proximate phases, and calls for experimental investigations of this physics in twisted van der Waals materials and a broader class of systems with intermediate-range interactions.

cond-mat.str-el↗

arXiv2024

Quantum Many-Body Physics Calculations with Large Language Models

Large language models (LLMs) have demonstrated an unprecedented ability to perform complex tasks in multiple domains, including mathematical and scientific reasoning. We demonstrate that with carefully designed prompts, LLMs can accurately carry out key calculations in research papers in theoretical physics. We focus on a broadly used approximation method in quantum physics: the Hartree-Fock method, requiring an analytic multi-step calculation deriving approximate Hamiltonian and corresponding self-consistency equations. To carry out the calculations using LLMs, we design multi-step prompt templates that break down the analytic calculation into standardized steps with placeholders for problem-specific information. We evaluate GPT-4's performance in executing the calculation for 15 research papers from the past decade, demonstrating that, with correction of intermediate steps, it can correctly derive the final Hartree-Fock Hamiltonian in 13 cases and makes minor errors in 2 cases. Aggregating across all research papers, we find an average score of 87.5 (out of 100) on the execution of individual calculation steps. Overall, the requisite skill for doing these calculations is at the graduate level in quantum condensed matter theory. We further use LLMs to mitigate the two primary bottlenecks in this evaluation process: (i) extracting information from papers to fill in templates and (ii) automatic scoring of the calculation steps, demonstrating good results in both cases. The strong performance is the first step for developing algorithms that automatically explore theoretical hypotheses at an unprecedented scale.

physics.comp-ph↗

arXiv2024

Phase-Separated Charge Order and Twinning Across Length Scales in CsV$_3$Sb$_5$

We present X-ray scattering studies resolving structural twinning and phase separation in the charge density wave (CDW) state of the kagome superconductor CsV$_3$Sb$_5$. The three-dimensional CDW state in CsV$_3$Sb$_5$ is reported to form a complex superposition of Star of David (SoD) or Tri-Hexagonal (TrH) patterns of distortion within its kagome planes, but the out-of-plane stacking is marked by metastability. In order to resolve the impact of this metastability, we present reciprocal space mapping and real-space images of CsV$_3$Sb$_5$ collected across multiple length scales using temperature-dependent high-dynamic range mapping (HDRM) and dark-field X-ray microscopy (DFXM). The experimental data provide evidence for a rich microstructure that forms in the CDW state. Data evidence metastability in the formation of $2\times 2\times 4$ and $2\times 2\times 2$ CDW supercells dependent on thermal history and mechanical deformation. We further directly resolve the real space phase segregation of both supercells as well as a real-space, structural twinning driven by the broken rotational symmetry of the CDW state. Our combined results provide insights into the role of microstructure and twinning in experiments probing the electronic properties of CsV$_3$Sb$_5$ where rotational symmetry is broken by the three-dimensional charge density wave order but locally preserved for any single kagome layer.

cond-mat.mtrl-sci↗

arXiv2024

Switching between superconductivity and current density waves in Bernal bilayer graphene

An out-of-plane magnetic field can always suppress superconductivity. In Bernal-stacked bilayer graphene (BBG), recently observed activation of superconductivity (SC) through either in-plane magnetic fields or proximate spin-orbit coupling (SOC) offers a rare instance of switching superconductivity on. To understand this, we must first examine the non-superconducting state. We propose an incommensurate current density wave (CrDW) driven by van Hove singularities away from the zone corners as a competing order. We note that the two switches, the in-plane field and the SOC, both break spin degeneracy. Our parquet renormalization group analysis reveals that breaking spin degeneracy shifts the balance from CrDW, favored under spin degeneracy, to SC when degeneracy is lifted. Driven by purely repulsive interactions, the pairing symmetry of the resulting SC is $p/d$-wave. The presence of CrDW accounts for the non-linear $I-V$ behavior in the normal state and suggests potential anomalous Hall effects due to time-reversal symmetry breaking. We further predict that reducing screening could enhance SC.

cond-mat.str-el↗