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Pengcheng Hou

Publications and source records attributed to Pengcheng Hou.

17 recordsLinked to original sources

Weak-coupling selection and finite-torus entropy in the triangular Ising antiferromagnet

An antiferromagnetic second-neighbor interaction favors stripe order in the triangular-lattice Ising antiferromagnet, but uniform stripes cannot satisfy odd periodic boundaries. At each fixed odd size $L\geq5$, we minimize this interaction over the ground states of the zero-field nearest-neighbor model on an $L\times L$ torus. We prove a minimum total interface length of $4L$ and classify all $L^2(L^2-1)/2$ selected states. Under the uniform measure on these states, the area fractions of the three stripe orientations approach a uniform distribution over all nonnegative triples summing to one. Thus selection reduces an exponential degeneracy to polynomial growth, while the whole-sample orientation fractions remain broadly distributed. We also derive explicit two-sided entropy-density bounds for periodic spin ground states and honeycomb dimer coverings on $M\times N$ tori, where $M,N$ are the periods along the two primitive lattice directions. For all $M,N\geq3$, the errors relative to the bulk residual entropy are bounded by explicit constants times $\min(M,N)^{-2}$, without an aspect-ratio restriction. These bounds give finite-size accuracy guarantees and control the exponentially small fraction of unperturbed ground states that survive the selection.

cond-mat.stat-mech↗

Beyond Shor's Conjecture: Optimal Quantum Measurements at Fixed Error

We prove Shor's conjecture: an orthogonal measurement maximizes the information obtainable from any two quantum states in finite dimension. We then show that an error constraint can require three outcomes. For a class of full-rank qubit pairs, the best orthogonal basis switches abruptly as the error penalty increases. Near the switch, three outcomes yield more information at the same error than any orthogonal measurement or random mixture of them. The extra outcome distinguishes confidence levels in one guess; every outcome is used.

quant-ph↗

Spin fluctuations and nearly isotropic quasiparticles in the doped three-dimensional Hubbard model

Away from half filling and above its Neel temperature, the three-dimensional Hubbard model is a paramagnetic metal with antiferromagnetic spin fluctuations, where controlled momentum-resolved results have been lacking. Using connected-determinant diagrammatic Monte Carlo, we compute the momentum-resolved self-energy for n = 0.4-0.95, T/t = 0.05-0.33 and U/t = 4-8, and the full-zone spin susceptibility at twelve of these points, focusing on U/t = 4. At U/t = 4 and toward half filling the spin fluctuations become strong: for n = 0.7-0.9 at T/t = 0.14 they enhance the susceptibility peak up to sevenfold and raise the momentum-dependent part of the scattering rate to four to five times its second-order value. They are driven by an effective spin interaction screened to about 2U/3 and nearly uniform over the zone. Yet the peak height is set by the slightly smaller value of this interaction at the peak wave vector, and near magnetic order this small difference changes the height by a large factor. Two-particle self-consistent theory reproduces the peak because its sum rule fixes its single constant interaction near this value, but for n = 0.7-0.9 at T/t = 0.14 its self-energy overestimates the local scattering rate and underestimates the momentum-dependent part. Though strong, the fluctuations are short ranged, with a correlation length of at most about two lattice spacings, and for n = 0.7-0.9 and T/t >= 0.14 the scattering rate near the Fermi surface varies by at most about 1% at fixed band energy, without hot spots. At U/t = 4 dynamical mean-field theory (DMFT) reproduces the local scattering rate and quasiparticle weight within a few percent, and the nonlocal part it misses is approximately a function of the band energy. Strong spin fluctuations thus coexist with nearly isotropic quasiparticles, and the results provide a benchmark for extensions of DMFT and for spin-fluctuation theories.

cond-mat.str-el↗

First-Principles Effective Mass in the Three-Dimensional Uniform Electron Gas

The quasiparticle effective mass $m^*$ of the three-dimensional uniform electron gas (UEG) is a fundamental Fermi-liquid parameter whose value and density dependence have remained controversial for decades. Using renormalized perturbation theory with explicit counterterms, we determine $m^*$ in the metallic regime ($r_s \le 6$) from first principles by two complementary routes -- the self-energy and the forward-scattering four-point vertex via the $p$-wave spin-symmetric Landau parameter $F_1^s$ -- that agree within uncertainties at each density through sixth renormalized order. The resulting $m^*/m$ remains close to unity throughout the metallic regime, with a shallow non-monotonic density dependence -- a minimum near $r_s\approx 1$ followed by a gentle upturn -- reflecting the interplay of exchange and dynamical screening in the self-energy, and disfavoring strong monotonic suppression. This finding supports a physical picture for the metallic UEG in which dominant charge correlations are concentrated in nearly forward scattering and generate only a weak $F_1^s$ component.

cond-mat.str-el↗

Static spin exchange-correlation kernel of the uniform electron gas at finite temperature

We determine the temperature and momentum dependence of the static spin exchange--correlation kernel of the unpolarized three-dimensional uniform electron gas using variational diagrammatic Monte Carlo. The calculations cover metallic densities with Wigner--Seitz radii $r_s=1\!-\!4$ and temperatures $T/T_F=1/16\!-\!8$, where $T_F$ is the Fermi temperature. At low temperature, the calculated kernel approaches established ground-state parametrizations. Heating suppresses its Fermi-scale minimum and reduces its magnitude, while the relative momentum dependence evolves nonmonotonically through the warm-dense crossover. At the two highest temperatures studied, the spin kernel is nearly constant over $q \leq 2k_F$, where $k_F$ is the Fermi wave number. The charge kernel at $r_s=1$ retains pronounced momentum dependence under the same conditions, making a local approximation to the XC kernel more accurate in the spin channel over this interval. The directly sampled uniform response determines the XC free-energy curvature with respect to spin polarization, independently of a fitted polarization dependence. This curvature sets the interaction contribution to the free-energy cost of weak polarization and differs by several percent from the Groth--Dornheim--Bonitz parametrization at elevated temperatures. These results provide momentum-resolved reference data for finite-temperature spin-response theories and direct constraints on the spin dependence of thermal free-energy functionals.

cond-mat.str-el↗

Recursive Improvement of a Differentiable Scientific Software Ecosystem

Differentiable programming connects scientific computation with gradient-based inference, learning and design. Extending these capabilities across a heterogeneous software ecosystem requires specialized effort to implement derivatives, integrate interfaces and evaluate quality. AI coding agents can accelerate this transformation, but translating their capabilities into useful scientific software requires identifying research needs and evaluating how well implementations meet them. We present an environment for agent-driven evolution of differentiable scientific software that connects demand identification, development and quality evaluation. A unified differentiation interface exposes reusable derivative rules alongside existing numerical routines, allowing research tasks to share these capabilities. Research requirements guide development, with implementations assessed through independent derivative checks, workflow tests and performance evaluation. Validated software, research programs and tests become shared resources for subsequent studies. We construct and validate automatic differentiation extensions across 20 packages spanning physical, chemical and biological modeling, with research workflows demonstrating reuse across tasks. Benchmarks demonstrate computational savings over finite differences in gradient evaluation and complete parameter estimation. Research-driven revisions make previously unsupported workflows differentiable, correct derivatives of scientific observables and eliminate redundant computation. Quantum-control and thermal-design studies revise objectives in response to physical evaluation, improving designs while reusing existing derivatives. This work provides a practical approach to expanding differentiable programming across established scientific software and organizing AI agents around the recursive improvement of a shared computational ecosystem.

cs.AI↗

Long-range self-avoiding walk in one dimension: a Monte Carlo study

We study the one-dimensional long-range self-avoiding walk in the grand-canonical ensemble where the statistical weight of a jump of length $r$ decays algebraically as $r^{-(d+σ)}$. Using large-scale Monte Carlo simulations with an efficient irreversible update scheme, we obtain high-precision estimates of the critical fugacity $z_c$, the universal Binder ratio $Q_N^c$, the correlation-length exponent $ν$, and the anomalous dimension $η$. For $σ>1$, the critical fugacity varies smoothly with $σ$, while the Binder ratio and the critical exponents remain consistent with the short-range universality class. For $σ\le 1$, by contrast, the results clearly depart from short-range behavior, identifying $σ=1$ as the boundary between long-range and short-range regimes. In the long-range Wilson-Fisher regime with $1/2 < σ\leq 1$, $η$ agrees with the long-range Gaussian-fixed-point prediction $η_{\mathrm{GFP}}=2-σ$, whereas $Q_N^c$ and $ν$ vary nontrivially with $σ$ and exhibit discontinuous jumps at $σ=1$. These findings are in good agreement with the recently proposed universality diagram in the $(d,σ)$ plane for long-range O$(n)$ models, with the self-avoiding walk corresponding to the $n\to0$ limit.

cond-mat.stat-mech↗

Two-Electron Correlations in the Metallic Electron Gas

We present high-precision \emph{ab initio} calculations of the four-point vertex function for the three-dimensional uniform electron gas using variational diagrammatic Monte Carlo. From these results, we extract Landau parameters that reveal a density-driven crossover from underscreening to overscreening, and obtain the full two-electron scattering amplitude on the Fermi surface with controlled accuracy. A residual analysis of the scattering amplitude against the charge-channel Kukkonen--Overhauser (KO$^+$) interaction shows that only a minimal s-wave correction in the antiparallel-spin channel is needed, defining the sKO$^+$ ansatz: KO$^+$ within the local-density approximation plus this short-range correction. Using both our direct VDMC amplitudes and the sKO$^+$ ansatz, we compute the electron-electron contribution to the thermal resistivity, obtaining quantitative agreement with experiments on simple metals (Al, Na, K, Rb). sKO$^+$ thus provides a controlled UEG-based effective interaction for simple-metal transport and future first-principles extensions.

cond-mat.str-el↗

Fractals of Simple Random Walks in Two Dimensions: A Monte Carlo Study

We present a Monte Carlo study of the fractal geometry of clusters formed by discrete-time simple random walks (sRW) of $L^2$ steps on a periodic square $L\times L$ lattice. We verify with high precision that the asymptotic behavior of the cluster mass follows $M/L^2 \simeq (\ln L)^{-1} [\fracπ{2}+b (\ln L)^{-2}]$, with $b\approx -(π/2)^{-2}$, demonstrating marginal ``logarithmic fractals". We further determine the fractal dimension of the hull to be $d_{\rm hull}=1.333\,29(14)=4/3$, in excellent agreement with the prediction of Schramm-Loewner evolution ($\rm SLE_{8/3}$) for the Brownian frontier universality class. More importantly, we analyze the chemical distance $S$ spanning the cluster and obtain strong evidence that it asymptotically scales as $S\sim L(\ln L)^{1/4}$, lying exactly on the theoretical upper bound for the chemical distance for level-set percolation clusters on the two-dimensional Gaussian free field. Our numerical results show that the sRW cluster exhibits a conformally invariant external frontier and contains highly efficient asymptotically linear connective paths.

cond-mat.stat-mech↗

An AI-powered Technology Stack for Solving Many-Electron Field Theory

Quantum field theory (QFT) for interacting many-electron systems is fundamental to condensed matter physics, yet achieving accurate solutions confronts computational challenges in managing the combinatorial complexity of Feynman diagrams, implementing systematic renormalization, and evaluating high-dimensional integrals. We present a unifying framework that integrates QFT computational workflows with an AI-powered technology stack. A cornerstone of this framework is representing Feynman diagrams as computational graphs, which structures the inherent mathematical complexity and facilitates the application of optimized algorithms developed for machine learning and high-performance computing. Consequently, automatic differentiation, native to these graph representations, delivers efficient, fully automated, high-order field-theoretic renormalization procedures. This graph-centric approach also enables sophisticated numerical integration; our neural-network-enhanced Monte Carlo method, accelerated via massively parallel GPU implementation, efficiently evaluates challenging high-dimensional diagrammatic integrals. Applying this framework to the uniform electron gas, we determine the quasiparticle effective mass to a precision significantly surpassing current state-of-the-art simulations. Our work demonstrates the transformative potential of integrating AI-driven computational advances with QFT, opening systematic pathways for solving complex quantum many-body problems across disciplines.

hep-th↗

Matsubara-Frequency-Resolved Spin Exchange-Correlation Kernel for the Three-Dimensional Uniform Electron Gas

The spin Coulomb drag effect, arising from the exchange of momentum between electrons of opposite spins, plays a crucial role in the spin transport of interacting electron systems and can be characterized by the exchange-correlation (XC) kernel in the spin channel $K_{\rm XC}^-(q,ω)$. Using the state-of-the-art Variational Diagrammatic Monte Carlo approach, we compute the Matsubara-frequency-resolved spin XC kernel $K_{\rm XC}^-(q,iω_n)$ for the three-dimensional uniform electron gas at sufficiently low temperatures with high precision. In the long-wavelength limit, we identified a singular behavior of the form $A(iω_n)/q^2$, confirming the theoretically predicted ultranonlocal behavior associated with spin Coulomb drag. Analysis of this structure in the low frequency region enables precise determination of two crucial parameters characterizing the spin Coulomb drag effect: the spin mass enhancement factor and spin diffusion relaxation time. We observe a significant trend of increasing enhancement of the spin mass factor with decreasing electron density, and provide clear evidence for the suppression of spin diffusion at low temperatures. These quantitative findings advance our understanding of Coulomb interaction effects on spin transport and provide essential parameters for time-dependent density functional theory and spintronics applications.

cond-mat.str-el↗

Precursory Cooper Flow in Ultralow-Temperature Superconductors

Superconductivity at low temperature -- observed in lithium and bismuth, as well as in various low-density superconductors -- calls for developing reliable theoretical and experimental tools for predicting ultralow critical temperatures, $T_c$, of Cooper instability in a system demonstrating nothing but normal Fermi liquid behavior in a broad range of temperatures below the Fermi energy, $T_{\rm F}$. Equally important are controlled predictions of stability in a given Cooper channel. We identify such a protocol within the paradigm of precursory Cooper flow -- a universal ansatz describing logarithmically slow temperature evolution of the linear response of the normal state to the pair-creating perturbation. Applying this framework to the two-dimensional uniform electron gas, we reveal a series of exotic superconducting states, pushing controlled theoretical predictions of $T_c$ to the unprecedentedly low scale of $10^{-100} T_{\rm F}$.

cond-mat.supr-con↗

Monte Carlo study of duality and the Berezinskii-Kosterlitz-Thouless phase transitions of the two-dimensional $q$-state clock model in flow representations

The two-dimensional $q$-state clock model for $q \geq 5$ undergoes two Berezinskii-Kosterlitz-Thouless (BKT) phase transitions as temperature decreases. Here we report an extensive worm-type simulation of the square-lattice clock model for $q=$5--9 in a pair of flow representations, from the high- and low-temperature expansions, respectively. By finite-size scaling analysis of susceptibility-like quantities, we determine the critical points with a precision improving over the existing results. Due to the dual flow representations, each point in the critical region is observed to simultaneously exhibit a pair of anomalous dimensions, which are $η_1=1/4$ and $η_2 = 4/q^2$ at the two BKT transitions. Further, the approximate self-dual points $β_{\rm sd}(L)$, defined by the stringent condition that the susceptibility like quantities in both flow representations are identical, are found to be nearly independent of system size $L$ and behave as $β_{\rm sd} \simeq q/2π$ asymptotically at the large-$q$ limit. The exponent $η$ at $β_{\rm sd}$ is consistent with $1/q$ within statistical error as long as $q \geq 5$. Based on this, we further conjecture that $η(β_{\rm sd}) = 1/q$ holds exactly and is universal for systems in the $q$-state clock universality class. Our work provides a vivid demonstration of rich phenomena associated with the duality and self-duality of the clock model in two dimensions.

cond-mat.stat-mech↗

Percolation of the two-dimensional XY model in the flow representation

We simulate the two-dimensional XY model in the flow representation by a worm-type algorithm, up to linear system size $L=4096$, and study the geometric properties of the flow configurations. As the coupling strength $K$ increases, we observe that the system undergoes a percolation transition $K_{\rm perc}$ from a disordered phase consisting of small clusters into an ordered phase containing a giant percolating cluster. Namely, in the low-temperature phase, there exhibits a long-ranged order regarding the flow connectivity, in contrast to the qusi-long-range order associated with spin properties. Near $K_{\rm perc}$, the scaling behavior of geometric observables is well described by the standard finite-size scaling ansatz for a second-order phase transition. The estimated percolation threshold $K_{\rm perc}=1.105 \, 3(4)$ is close to but obviously smaller than the Berezinskii-Kosterlitz-Thouless (BKT) transition point $K_{\rm BKT} = 1.119 \, 3(10)$, which is determined from the magnetic susceptibility and the superfluid density. Various interesting questions arise from these unconventional observations, and their solutions would shed lights on a variety of classical and quantum systems of BKT phase transitions.

cond-mat.stat-mech↗

Critical exponents and universal excess cluster number of percolation in four and five dimensions

We study critical bond percolation on periodic four-dimensional (4D) and five-dimensional (5D) hypercubes by Monte Carlo simulations. By classifying the occupied bonds into branches, junctions and non-bridges, we construct the whole, the leaf-free and the bridge-free clusters using the breadth-first-search algorithm. From the geometric properties of these clusters, we determine a set of four critical exponents, including the thermal exponent $y_{\rm t} \equiv 1/ν$, the fractal dimension $d_{\rm f}$, the backbone exponent $d_{\rm B}$ and the shortest-path exponent $d_{\rm min}$. We also obtain an estimate of the excess cluster number $b$ which is a universal quantity related to the finite-size scaling of the total number of clusters. The results are $y_{\rm t} = 1.461(5)$, $d_{\rm f} = 3.044 \, 6(7)$, $d_{\rm B} = 1.984\,4(11)$, $d_{\rm min} = 1.604 \, 2(5)$, $b = 0.62(1)$ for 4D; and $y_{\rm t} = 1.743(10)$, $d_{\rm f} = 3.526\,0(14)$, $d_{\rm B} = 2.022\,6(27)$, $d_{\rm min} = 1.813\, 7(16)$, $b = 0.62(2)$ for 5D. The values of the critical exponents are compatible with or improving over the existing estimates, and those of the excess cluster number $b$ have not been reported before. Together with the existing values in other spatial dimensions $d$, the $d$-dependent behavior of the critical exponents is obtained, and a local maximum of $d_{\rm B}$ is observed near $d \approx 5$. It is suggested that, as expected, critical percolation clusters become more and more dendritic as $d$ increases.

cond-mat.stat-mech↗

Geometric properties of the Fortuin-Kasteleyn representation of the Ising model

We present a Monte Carlo study of the Fortuin-Kasteleyn (FK) clusters of the Ising model on the square (2D) and simple-cubic (3D) lattices. The wrapping probability, a dimensionless quantity characterizing the topology of the FK clusters on a torus, is found to suffer from smaller finite-size corrections than the well-known Binder ratio, and yields a high-precision critical coupling as $K_c(3\rm D)=0.221\,654\,631(8)$. We then study geometric properties of the FK clusters at criticality. It is demonstrated that the distribution of the critical largest-cluster size $C_1$ follows a single-variable function as $P(C_1,L){\rm d}C_1=\tilde P(x){\rm d}x$ with $x\equiv C_1/L^{d_{\rm F}}$ ($L$ is the linear size), and that the fractal dimension $d_{\rm F}$ is identical to the magnetic exponent. An interesting bimodal feature is observed in distribution $\tilde P(x)$ in 3D, and attributed to the different approaching behaviors for $K \to K_c+0^\pm$. For a critical FK configuration, the cluster number per site $n(s,L)$ of size $s$ is confirmed to obey the standard scaling form $n(s,L)\sim s^{-τ}\tilde n(s/L^{d_{\rm F}})$, with hyper-scaling relation $τ=1+d/d_{\rm F}$ and the spatial dimension $d$. To further characterize the compactness of the FK clusters, we measure their graph distances and determine the shortest-path exponents as $d_{\rm min}(3\rm D)=1.259\,4(2)$ and $d_{\rm min}(2\rm D)=1.094\,0(3)$. Further, by excluding all the bridges from the occupied bonds, we obtain bridge-free configurations and determine the backbone exponents as $d_{\rm B}(3\rm D)=2.167\,3(15)$ and $d_{\rm B}(2\rm D)=1.732\,1(4)$. The estimates of the universal wrapping probabilities for the 3D Ising model and of the geometric critical exponents $d_{\rm min}$ and $d_{\rm B}$ either improve over the existing results or have not been reported yet.

cond-mat.stat-mech↗

Critical percolation clusters in seven dimensions and on a complete graph

We study critical bond percolation on a seven-dimensional (7D) hypercubic lattice with periodic boundary conditions and on the complete graph (CG) of finite volume $V$. We numerically confirm that for both cases, the critical number density $n(s,V)$ of clusters of size $s$ obeys a scaling form $n(s,V) \sim s^{-τ} \tilde{n} (s/V^{d^*_{\rm f}})$ with identical volume fractal dimension $d^*_{\rm f}=2/3$ and exponent $τ= 1+1/d^*_{\rm f}=5/2$. We then classify occupied bonds into {\em bridge} bonds, which includes {\em branch} and {\em junction} bonds, and {\em non-bridge} bonds; a bridge bond is a branch bond if and only if its deletion produces at least one tree. Deleting branch bonds from percolation configurations produces {\em leaf-free} configurations, whereas, deleting all bridge bonds leads to {\em bridge-free} configurations. It is shown that the fraction of non-bridge (bi-connected) bonds vanishes $ρ_{\rm n, CG}$$\rightarrow$0 for large CGs, but converges to a finite value $ ρ_{\rm n, 7D} =0.006 \, 193 \, 1(7)$ for the 7D hypercube. Further, we observe that while the bridge-free dimension $d^*_{\rm bf}=1/3$ holds for both the CG and 7D cases, the volume fractal dimensions of the leaf-free clusters are different: $d^*_{\rm \ell f, 7D} = 0.669 (9) \approx 2/3$ and $d^*_{\rm \ell f, CG} = 0. 333 7 (17) \approx 1/3$. We also study the behavior of the number and the size distribution of leaf-free and bridge-free clusters. For the number of clusters, we numerically find the number of leaf-free and bridge-free clusters on the CG scale as $\sim \ln V$, while for 7D they scale as $\sim V$. Our work demonstrates that the geometric structure of high-dimensional percolation clusters cannot be fully accounted for by their complete-graph counterparts.

cond-mat.stat-mech↗