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Ehsan Khatami

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Published work

23 published item(s)

preprint2026arXiv

Parallel Scan Recurrent Neural Quantum States for Scalable Variational Monte Carlo

Neural-network quantum states have emerged as a powerful variational framework for quantum many-body systems, with recent progress often driven by massively parallel architectures such as transformers. Recurrent neural network quantum states, however, are frequently regarded as intrinsically sequential and therefore less scalable. Here we revisit this view by showing that modern recurrent architectures can support fast, accurate, and computationally accessible neural quantum state simulations. Using autoregressive recurrent wave functions together with recent advances in parallelizable recurrence, we develop variational ansätze, called parallel scan recurrent neural quantum states (PSR-NQS), which can be trained efficiently within variational Monte Carlo in one and two spatial dimensions. We demonstrate accurate benchmark results and show that, with iterative retraining, our approach reaches two-dimensional spin lattices as large as $52\times52$ while remaining in agreement with available quantum Monte Carlo data. Our results establish recurrent architectures as a practical and promising route toward scalable neural quantum state simulations with modest computational resources.

preprint2019arXiv

Ground state phase diagram of the one-dimensional Bose-Hubbard model from restricted Boltzmann machines

Motivated by recent advances in the representation of ground state wavefunctions of quantum many-body systems using restricted Boltzmann machines as variational ansatz, we utilize an open-source platform for constructing such ansatz called NetKet to explore the extent of applicability of restricted Boltzmann machines to bosonic lattice models. Within NetKet, we design and train these machines for the one-dimensional Bose-Hubbard model through a Monte Carlo sampling of the Fock space. We vary parameters such as the strength of the onsite repulsion, the chemical potential, the system size and the maximum site occupancy and use converged equations of state to identify phase boundaries between the Mott insulating and superfluid phases. We compare the average density and the energy to results from exact diagonalization and map out the ground state phase diagram, which agrees qualitatively with previous finding obtained through conventional means.

preprint2016arXiv

Observation of Spatial Charge and Spin Correlations in the 2D Fermi-Hubbard Model

Strong electron correlations lie at the origin of transformative phenomena such as colossal magneto-resistance and high-temperature superconductivity. Already near room temperature, doped copper oxide materials display remarkable features such as a pseudo-gap and a "strange metal" phase with unusual transport properties. The essence of this physics is believed to be captured by the Fermi-Hubbard model of repulsively interacting, itinerant fermions on a lattice. Here we report on the site-resolved observation of charge and spin correlations in the two-dimensional (2D) Fermi-Hubbard model realized with ultracold atoms. Antiferromagnetic spin correlations are maximal at half-filling and weaken monotonically upon doping. Correlations between singly charged sites are negative at large doping, revealing the Pauli and correlation hole\textemdash a suppressed probability of finding two fermions near each other. However, as the doping is reduced below a critical value, correlations between such local magnetic moments become positive, signaling strong bunching of doublons and holes. Excellent agreement with numerical linked-cluster expansion (NLCE) and determinantal quantum Monte Carlo (DQMC) calculations is found. Positive non-local moment correlations directly imply potential energy fluctuations due to doublon-hole pairs, which should play an important role for transport in the Fermi-Hubbard model.

preprint2016arXiv

Three-dimensional Hubbard model in the thermodynamic limit

We employ the numerical linked-cluster expansion to study finite-temperature properties of the uniform cubic lattice Hubbard model in the thermodynamic limit for a wide range of interaction strengths and densities. We carry out the expansion to the 9th order and find that the convergence of the series extends to lower temperatures as the strength of the interaction increases, giving us access to regions of the parameter space that are difficult to reach by most other numerical methods. We study the precise trends in the specific heat, the double occupancy, and magnetic correlations at temperatures as low as 0.2 of the hopping amplitude in the strong-coupling regime. We show that in this regime, accurate estimates for transition temperatures to the Néel ordered phase, in agreement with the predicted asymptotic behavior, can be deduced from the low-temperature magnetic structure factor. We also find evidence for possible instability to the magnetically ordered phase away from, but close to, half filling. Our results have important implications for parametrizing fermionic systems in optical lattice experiments and for benchmarking other numerical methods.

preprint2016arXiv

Transport and Optical Conductivity in the Hubbard Model: A High-Temperature Expansion Perspective

We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension $d$ as well as the infinite-$d$ limit, arbitrary electron density $n$, and both finite and infinite repulsion $U$. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high-temperature and, at large-$U$, they are featureless with characteristic widths of order the lattice hopping parameter $t$. In the infinite-$d$ limit we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte-Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime which applies for $T \gtrsim (1-n)D$, the Brinkman-Rice scale. The resistivity increases linearly in $T$ at high-temperature without saturation. This results from the $1/T$ behaviour of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturate at high-$T$. We find that $σ(n,T) \approx (1-n)σ(n=0,T)$ to a very good approximation for all $n$, with $σ(n=0,T)\propto t/T$ at high temperatures. The saturation at small $n$ occurs due to a compensation between the density-dependence of the effective number of carriers and that of the scattering time. The $T$-dependence of the resistivity displays a knee-like feature which signals a cross-over to the intermediate-temperature regime where the diffusion constant (or scattering time) start increasing with decreasing $T$. At high-temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as $1/T^2$.

preprint2015arXiv

Compressibility of a fermionic Mott insulator of ultracold atoms

We characterize the Mott insulating regime of a repulsively interacting Fermi gas of ultracold atoms in a three-dimensional optical lattice. We use in-situ imaging to extract the central density of the gas, and to determine its local compressibility. For intermediate to strong interactions, we observe the emergence of a plateau in the density as a function of atom number, and a reduction of the compressibility at a density of one atom per site, indicating the formation of a Mott insulator. Comparisons to state-of-the-art numerical simulations of the Hubbard model over a wide range of interactions reveal that the temperature of the gas is of the order of, or below, the tunneling energy scale. Our results hold great promise for the exploration of many-body phenomena with ultracold atoms, where the local compressibility can be a useful tool to detect signatures of different phases or phase boundaries at specific values of the filling.

preprint2015arXiv

Cooling Atomic Gases With Disorder

Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. We propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a non-disordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approach the Neél temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.

preprint2015arXiv

Finite-temperature superconducting correlations of the Hubbard model

We utilize numerical linked-cluster expansions (NLCEs) and the determinantal quantum Monte Carlo algorithm to study pairing correlations in the square lattice Hubbard model. To benchmark the NLCE, we first locate the finite-temperature phase transition of the attractive model to a superconducting state away from half filling. We then explore the superconducting properties of the repulsive model for the d-wave and extended s-wave pairing symmetries. The pairing structure factor shows a strong tendency to d-wave pairing and peaks at an interaction strength comparable to the bandwidth. The extended s-wave structure factor and correlation length are larger at higher temperatures but clearly saturate as temperature is lowered, whereas the d-wave counterparts, which start off lower at high temperatures, continue to rise near half filling. This rise is even more dramatic in the d-wave susceptibility. The convergence of NLCEs breaks down as the susceptibilities and correlation lengths become large, so we are unable to determine the onset of long-range order. However, our results extend the conclusion, previously restricted to only magnetic and charge correlations, that NLCEs offer unique window into pairing in the Hubbard model at strong coupling.

preprint2015arXiv

Observation of antiferromagnetic correlations in the Hubbard model with ultracold atoms

Ultracold atoms in optical lattices have great potential to contribute to a better understanding of some of the most important issues in many-body physics, such as high-$T_c$ superconductivity. The Hubbard model describes many of the features shared by the copper oxides, including an interaction-driven Mott insulating state and an antiferromagnetic (AFM) state. Optical lattices filled with a two-spin-component Fermi gas of ultracold atoms can faithfully realise the Hubbard model with readily tunable parameters, and thus provide a platform for the systematic exploration of its phase diagram. Realisation of strongly correlated phases, however, has been hindered by the need to cool the atoms to temperatures as low as the magnetic exchange energy, and also by the lack of reliable thermometry. Here we demonstrate spin-sensitive Bragg scattering of light to measure AFM spin correlations in a realisation of the 3D Hubbard model at temperatures down to 1.4 times that of the AFM phase transition. This temperature regime is beyond the range of validity of a simple high-temperature series expansion, which brings our experiment close to the limit of the capabilities of current numerical techniques. We reach these low temperatures using a unique compensated optical lattice technique, in which the confinement of each lattice beam is compensated by a blue-detuned laser beam. The temperature of the atoms in the lattice is deduced by comparing the light scattering to determinantal quantum Monte Carlo and numerical linked-cluster expansion calculations. Further refinement of the compensated lattice may produce even lower temperatures which, along with light scattering thermometry, would open avenues for achieving and characterising other novel quantum states of matter, such as the pseudogap regime of the 2D Hubbard model.

preprint2014arXiv

Linked-cluster expansion for the Green's function of the infinite-U Hubbard model

We implement a highly efficient strong-coupling expansion for the Green's function of the Hubbard model. In the limit of extreme correlations, where the onsite interaction is infinite, the evaluation of diagrams simplifies dramatically enabling us to carry out the expansion to the eighth order in powers of the hopping amplitude. We compute the finite-temperature Green's function analytically in the momentum and Matsubara frequency space as a function of the electron density. Employing Pade approximations, we study the equation of state, Kelvin thermopower, momentum distribution function, quasiparticle fraction, and quasiparticle lifetime of the system at temperatures lower than, or of the order of, the hopping amplitude. We also discuss several different approaches for obtaining the spectral functions through analytic continuation of the imaginary frequency Green's function, and show results for the system near half filling. We benchmark our results for the equation of state against those obtained from a numerical linked-cluster expansion carried out to the eleventh order.

preprint2014arXiv

Magnetic correlations and pairing in the 1/5-depleted square lattice Hubbard model

We study the single-orbital Hubbard model on the 1/5-depleted square lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Neel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d-wave in the plaquette phase to extended s-wave upon transition to the Neel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.

preprint2013arXiv

Electronic spectral properties of the two-dimensional infinite-U Hubbard model

A strong-coupling series expansion for the Green's function and the extremely-correlated Fermi liquid (ECFL) theory are used to calculate the moments of the electronic spectral functions of the infinite-U Hubbard model. Results from these two complementary methods agree very well at both, low densities, where the ECFL solution is the most accurate, and at high to intermediate temperatures, where the series converge. We find that a modified first moment, which underestimates the contributions from the occupied states and is accessible in the series through the time-dependent Green's function, best describes the quasiparticle peak location in the strongly-correlated regime. This is examined by the ECFL results at low temperatures, where it is shown that the spectral function is largely skewed towards the occupied states.

preprint2013arXiv

Finite-temperature properties of strongly correlated fermions in the honeycomb lattice

We study finite-temperature properties of strongly interacting fermions in the honeycomb lattice using numerical linked-cluster expansions and determinantal quantum Monte Carlo simulations. We analyze a number of thermodynamic quantities, including the entropy, the specific heat, uniform and staggered spin susceptibilities, short-range spin correlations, and the double occupancy at and away from half filling. We examine the viability of adiabatic cooling by increasing the interaction strength for homogeneous as well as for trapped systems. For the homogeneous case, this process is found to be more efficient at finite doping than at half filling. That, in turn, leads to an efficient adiabatic cooling in the presence of a trap which, starting with even relatively high entropies, can drive the system to have a Mott insulating phase with substantial antiferromagnetic correlations.

preprint2013arXiv

Fluctuation-Dissipation Theorem in an Isolated System of Quantum Dipolar Bosons after a Quench

We examine the validity of fluctuation-dissipation relations in isolated quantum systems taken out of equilibrium by a sudden quench. We focus on the dynamics of trapped hard-core bosons in one-dimensional lattices with dipolar interactions whose strength is changed during the quench. We find that fluctuation-dissipation relations hold if the system is nonintegrable after the quench. They also hold if the system is integrable after the quench if the initial state is an equilibrium state of a nonintegrable Hamiltonian. However, they fail if the system is integrable both before and after quenching.

preprint2012arXiv

A Short Introduction to Numerical Linked-Cluster Expansions

We provide a pedagogical introduction to numerical linked-cluster expansions (NLCEs). We sketch the algorithm for generic Hamiltonians that only connect nearest-neighbor sites in a finite cluster with open boundary conditions. We then compare results for a specific model, the Heisenberg model, in each order of the NLCE with the ones for the finite cluster calculated directly by means of full exact diagonalization. We discuss how to reduce the computational cost of the NLCE calculations by taking into account symmetries and topologies of the linked clusters. Finally, we generalize the algorithm to the thermodynamic limit, and discuss several numerical resummation techniques that can be used to accelerate the convergence of the series.

preprint2012arXiv

Effect of particle statistics in strongly correlated two-dimensional Hubbard models

We study the onset of particle statistics effects as the temperature is lowered in strongly correlated two-dimensional Hubbard models. We utilize numerical linked-cluster expansions and focus on the properties of interacting lattice fermions and two-component hard-core bosons. In the weak-coupling regime, where the ground state of the bosonic system is a superfluid, the thermodynamic properties of the two systems at half filling exhibit very large differences even at high temperatures. In the strong-coupling regime, where the low-temperature behavior is governed by a Mott insulator for either particle statistics, the agreement between the thermodynamic properties of both systems extends to regions where the antiferromagnetic (iso)spin correlations are exponentially large. We analyze how particle statistics affects adiabatic cooling in those systems.

preprint2012arXiv

Numerical study of the thermodynamics of clinoatacamite

We study the thermodynamic properties of the clinoatacamite compound, Cu_2(OH)_3Cl, by considering several approximate models. They include the Heisenberg model on (i) the uniform pyrochlore lattice, (ii) a very anisotropic pyrochlore lattice, and (iii) a kagome lattice weakly coupled to spins that sit on a triangular lattice. We utilize the exact diagonalization of small clusters with periodic boundary conditions and implement a numerical linked-cluster expansion approach for quantum lattice models with reduced symmetries, which allows us to solve model (iii) in the thermodynamic limit. We find a very good agreement between the experimental uniform susceptibility and the numerical results for models (ii) and (iii), which suggests a weak ferromagnetic coupling between the kagome and triangular layers in clinoatacamite. We also study thermodynamic properties in a geometrical transition between a planar pyrochlore lattice and the kagome lattice.

preprint2012arXiv

Quantum quenches in disordered systems: Approach to thermal equilibrium without a typical relaxation time

We study spectral properties and the dynamics after a quench of one-dimensional spinless fermions with short-range interactions and long-range random hopping. We show that a sufficiently fast decay of the hopping term promotes localization effects at finite temperature, which prevents thermalization even if the classical motion is chaotic. For slower decays, we find that thermalization does occur. However, within this model, the latter regime falls in an unexpected universality class, namely, observables exhibit a power-law (as opposed to an exponential) approach to their thermal expectation values.

preprint2012arXiv

Short-Range Correlations and Cooling of Ultracold Fermions in the Honeycomb Lattice

We use determinantal quantum Monte Carlo simulations and numerical linked-cluster expansions to study thermodynamic properties and short-range spin correlations of fermions in the honeycomb lattice. We find that, at half filling and finite temperatures, nearest-neighbor spin correlations can be stronger in this lattice than in the square lattice, even in regimes where the ground state in the former is a semimetal or a spin liquid. The honeycomb lattice also exhibits a more pronounced anomalous region in the double occupancy that leads to stronger adiabatic cooling than in the square lattice. We discuss the implications of these findings for optical lattice experiments.

preprint2011arXiv

Proximity of the Superconducting Dome and the Quantum Critical Point in the Two-Dimensional Hubbard Model

We use the dynamical cluster approximation to understand the proximity of the superconducting dome to the quantum critical point in the two-dimensional Hubbard model. In a BCS formalism, $T_c$ may be enhanced through an increase in the d-wave pairing interaction ($V_d$) or the bare pairing susceptibility ($χ_{0d}$). At optimal doping, where $V_d$ is revealed to be featureless, we find a power-law behavior of $χ_{0d}(ω=0)$, replacing the BCS log, and strongly enhanced $T_c$. We suggest experiments to verify our predictions.

preprint2011arXiv

Thermodynamics and phase transitions for the Heisenberg model on the pinwheel distorted kagome lattice

We study the Heisenberg model on the pinwheel distorted kagome lattice as observed in the material Rb_2Cu_3SnF_12. Experimentally relevant thermodynamic properties at finite temperatures are computed utilizing numerical linked-cluster expansions. We also develop a Lanczos-based, zero-temperature, numerical linked cluster expansion to study the approach of the pinwheel distorted lattice to the uniform kagome-lattice Heisenberg model. We find strong evidence for a phase transition before the uniform limit is reached, implying that the ground state of the kagome-lattice Heisenberg model is likely not pinwheel dimerized and is stable to finite pinwheel-dimerizing perturbations.

preprint2011arXiv

Thermodynamics of strongly interacting fermions in two-dimensional optical lattices

We study finite-temperature properties of strongly correlated fermions in two-dimensional optical lattices by means of numerical linked cluster expansions, a computational technique that allows one to obtain exact results in the thermodynamic limit. We focus our analysis on the strongly interacting regime, where the on-site repulsion is of the order of or greater than the band width. We compute the equation of state, double occupancy, entropy, uniform susceptibility, and spin correlations for temperatures that are similar to or below the ones achieved in current optical lattice experiments. We provide a quantitative analysis of adiabatic cooling of trapped fermions in two dimensions, by means of both flattening the trapping potential and increasing the interaction strength.

preprint2011arXiv

Thermodynamics of the Antiferromagnetic Heisenberg Model on the Checkerboard Lattice

Employing numerical linked-cluster expansions (NLCEs) along with exact diagonalizations of finite clusters with periodic boundary condition, we study the energy, specific heat, entropy, and various susceptibilities of the antiferromagnetic Heisenberg model on the checkerboard lattice. NLCEs, combined with extrapolation techniques, allow us to access temperatures much lower than those accessible to exact diagonalization and other series expansions. We find that the high-temperature peak in specific heat decreases as the frustration increases, consistent with the large amount of unquenched entropy in the region around maximum classical frustration, where the nearest-neighbor and next-nearest neighbor exchange interactions (J and J', respectively) have the same strength, and with the formation of a second peak at lower temperatures. The staggered susceptibility shows a change of character when J' increases beyond 0.75J, implying the disappearance of the long-range antiferromagnetic order at zero temperature. For J'=4J, in the limit of weakly coupled crossed chains, we find large susceptibilities for stripe and Neel order with Q=(pi/2,pi/2) at low temperatures with antiferromagnetic correlations along the chains. Other magnetic and bond orderings, such as a plaquette valence-bond solid and a crossed-dimer order suggested by previous studies, have also been investigated.