Liang Fu’s research while affiliated with Massachusetts Institute of Technology and other places

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Publications (447)


FIG. 1. Architecture of the neural network wavefunction ansatz. SlaterNet: Multilayer perceptron neural network generates one-body orbitals to approximate general single Slater determinant wavefunctions. Psi-Solid: Selfattention neural network for solids based on Psi-Former [11] capturing correlations by mixing individual particle streams.
FIG. 2. Building blocks of variational Monte Carlo. In the Monte Carlo algorithm, the wavefunction ansatz Ψ θ is constructed and sampled to efficiently evaluate the optimization goal L[θ] := ⟨Ψ θ | ˆ H|Ψ θ ⟩ of minimizing the energy. Accordingly updating the weights of the variational ansatz by an optimizer during each step of the iterative procedure ensures convergence to the ground state ofˆHofˆ ofˆH.
FIG. 4. Scaling law for the number of variational parameters at convergence saturation as a function of the number of electrons. The extracted saturation points are well described by a power-law relation indicating how the required parameter count grows with system size. This scaling provides a guideline for selecting an optimal network size while ensuring convergence
FIG. 5. Comparison of ground state energies obtained from self-attention neural network Psi-Solid (blue), Hartree-Fock from SlaterNet (green), and BP-ED (dots) in a 3 × 3 supercell with ν = 2/3 filling. Dashed lines for Psi-Solid and SlaterNet indicate mean of local energy obtained from the variational Monte Carlo algorithm. The shaded region indicates the standard deviation of the mean of the local energy averaged over the batch size per optimization step. Dashed gray line is a guide to the eyes.
FIG. 7. Comparison of training curves for 27 sites with 2/3 filling and (a) ϵ = 10 and (b) ϵ = 5 with simple Jastrow factor J(R) and u(r) defined by Eq. (B3) to fix cusp conditions (blue), and no Jastrow factor (green). Dashed and dotted lines indicate mean and standard deviation of the local energy averaged over batch size. These calculations were performed with batch size 1024. Each data point represents the local energy averaged over batch size at each step.

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Is attention all you need to solve the correlated electron problem?
  • Preprint
  • File available

February 2025

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3 Reads

Max Geier

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Khachatur Nazaryan

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Liang Fu

The attention mechanism has transformed artificial intelligence research by its ability to learn relations between objects. In this work, we explore how a many-body wavefunction ansatz constructed from a large-parameter self-attention neural network can be used to solve the interacting electron problem in solids. By a systematic neural-network variational Monte Carlo study on a moir\'e quantum material, we demonstrate that the self-attention ansatz provides an accurate, efficient, and unbiased solution. Moreover, our numerical study finds that the required number of variational parameters scales roughly as N2N^2 with the number of electrons, which opens a path towards efficient large-scale simulations.

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Electronic commensuration of a spin moiré superlattice in a layered magnetic semimetal

February 2025

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36 Reads

Science Advances

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Nisarga Paul

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Shiang Fang

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[...]

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Joseph G Checkelsky

Spin moiré superlattices (SMSs) have been proposed as a magnetic analog of crystallographic moiré systems and a source of electron minibands offering vector-field moiré tunability and Berry curvature effects. However, it has proven challenging to realize an SMS in which a large exchange coupling J is transmitted between conduction electrons and localized spins. Furthermore, most systems have carrier mean free paths l mfp shorter than their spin moiré lattice constant a spin , inhibiting miniband formation. Here, we discover that the layered magnetic semimetal EuAg 4 Sb 2 overcomes these challenges by forming an interface with J ~ 100 milli–electron volts transferred between a Eu triangular lattice and anionic Ag 2 Sb bilayers hosting a two-dimensional electron band in the ballistic regime ( l mfp >> a spin ). The system realizes an SMS with a spin commensurate with the Fermi momentum, leading to a marked quenching of the transport response from miniband formation. Our findings demonstrate an approach to magnetically engineering moiré superlattices and a potential route to an emergent spin-driven quantum Hall state.


Large tunable Josephson diode effect in a side-contacted topological-insulator-nanowire junction

December 2024

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18 Reads

A Josephson diode passes current with zero resistance in one direction but is resistive in the other direction. While such an effect has been observed in several platforms, a large and tunable Josephson diode effect has been rare. Here we report that a simple device consisting of a topological-insulator (TI) nanowire side-contacted by superconductors to form a lateral Josephson junction presents a large diode effect with the efficiency η\eta reaching 0.3 when a parallel magnetic field BB_{||} is applied. Interestingly, the sign and the magnitude of η\eta is found to be tunable not only by BB_{||} but also by the back-gate voltage. This novel diode effect can be understood by modeling the system as a nano-SQUID, in which the top and bottom surfaces of the TI nanowire each form a line junction and BB_{||} creates a magnetic flux to thread the SQUID loop. This model further shows that the observed diode effect is accompanied by the emergence of topological superconductivity in TI nanowire based Josephson junction.


Probing quantum geometry through optical conductivity and magnetic circular dichroism

December 2024

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62 Reads

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2 Citations

Science Advances

Probing ground-state quantum geometry and topology through optical responses is not only of fundamental interest, but it can also offer several practical advantages. Here, using first-principles calculations on thin films of the antiferromagnetic topological insulator MnBi 2 Te 4 , we demonstrate how the generalized optical weight arising from the absorptive part of the optical conductivity can be used to probe the ground-state quantum geometry and topology. We show that three-septuple-layer MnBi 2 Te 4 film exhibit an enhanced, almost-perfect magnetic circular dichroism for a narrow photon energy window in the infrared region. We calculate the quantum weight in this MnBi 2 Te 4 film and show that it far exceeds the lower bound provided by the Chern number. Our results suggest that the well-known optical methods are powerful tools for probing the ground-state quantum geometry and topology.


Topological columnar nano-SQUID based on a 3D topological insulator

December 2024

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6 Reads

A 3D topological insulator (TI) is wrapped by a metallic surface that is topologically protected. While this surface is promising for generating non-Abelian Majorana zero-modes (MZMs) for topological quantum computing, it is a challenge to gap out the whole surface to get rid of low-energy quasiparticles to realize a well-defined fermion parity. Here we propose a novel TI platform that solves this problem and gives rise to a robust topological phase. It consists of a bulk-insulating rectangular TI nanowire laterally sandwiched by two superconductors. In this structure, the top and bottom surfaces individually work as SNS line junctions, forming a nanometer-scale columnar SQUID in which the nanowire cross-section defines the threading flux Φ\Phi. We demonstrate that a TI device of this structure indeed presents SQUID-type oscillations of the critical current IcI_c as a function of the axial magnetic field with period Φ0s=h2e\Phi_{0}^s=\frac{h}{2e} and can be tuned by a back gate to attain vanishing IcI_c minima, an indication that the supercurrent is completely surface-dominated. Our theory shows that, when the two junctions are asymmetric, a robust topological phase hosting MZMs occurs periodically for (n12)Φ0s<Φ<(n+12)Φ0s(n-\frac{1}{2})\Phi_{0}^s < \Phi < (n+\frac{1}{2})\Phi_{0}^s with odd-integer n.


Direct Observation of a Photoinduced Topological Phase Transition in Bi-Doped (Pb,Sn)Se

December 2024

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7 Reads

Physical Review Letters

Ultrafast photoexcitation offers a novel approach to manipulating quantum materials. One of the long-standing goals in this field is to achieve optical control over topological properties. However, the impact on their electronic structures, which host gapless surface states, has yet to be directly observed. Here, using time- and angle-resolved photoemission spectroscopy, we visualize the photoinduced evolution of the band structure in Bi_{y}(Pb_{1-x}Sn_{x})_{1-y}Se(111) films from topological to trivial insulators. Following near-infrared ultrafast laser excitation, we observe that the topological surface state opens a substantial gap of up to 0.1 eV. Considering the topological phase diagram associated with lattice distortion and atomic displacement, we show that a uniaxial strain generated by the ultrafast optical pulse is sufficiently effective and strong for the observed topological phase transition. Our Letter highlights the potential of optical tuning of materials through laser excitation to control topological properties on ultrafast timescales.



FIG. 1. Psiformer architecture [36]: Electron configurations are used to generate one electron features and two electron features which are then fed into the network. One electron features are subsequently transformed through L layers of selfattention and multi-layer perceptron (MLP) to form real and imaginary orbits. The complex orbits are then combined with isotropic Gaussian envelopes, after which a determinant and a Jastrow factor are applied to yield final many-body wavefunction Ψ.
FIG. 2. The geometry of our system: an infinite plane with N electrons and a positively charged disk of radius a at distance d above. A total of +N e background charges is uniformly distributed and held fixed over the disk. A uniform magnetic field is applied perpendicular to the plane with the total flux through the disk being Φ = N Φ0/ν.
Solving and visualizing fractional quantum Hall wavefunctions with neural network

November 2024

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22 Reads

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1 Citation

We introduce an attention-based fermionic neural network (FNN) to variationally solve the problem of two-dimensional Coulomb electron gas in magnetic fields, a canonical platform for fractional quantum Hall (FQH) liquids, Wigner crystals and other unconventional electron states. Working directly with the full Hilbert space of N electrons confined to a disk, our FNN consistently attains energies lower than LL-projected exact diagonalization (ED) and learns the ground state wavefunction to high accuracy. In low LL mixing regime, our FNN reveals microscopic features in the short-distance behavior of FQH wavefunction beyond the Laughlin ansatz. For moderate and strong LL mixing parameters, the FNN outperforms ED significantly. Moreover, a phase transition from FQH liquid to a crystal state is found at strong LL mixing. Our study demonstrates unprecedented power and universality of FNN based variational method for solving strong-coupling many-body problems with topological order and electron fractionalization.


FIG. 1. Non-Abelian FCI and electron crystal phases in the adiabatic model. Representative energy spectra within (a) the non-Abelian FCI and (b) crystal phases, at θ = 2.6 • and 3 • respectively. Modified structure factor at (c) θ = 2.6 • and (d) θ = 3 • . The first moiré Brillouin zone is outlined, the radius of the marker is proportional tõ s(q), ˜ s(0) = N is omitted, and the maxima of˜sof˜ of˜s(q) at 2.6 • and 3 • are 0.472 and 0.721 respectively. (e) Modified pair correlation function at θ = 3 • . A single supercell is outlined. ϵ = 5 and cluster 28 are used [34].
FIG. 1. Projected structure factor s(q) = 1 N ⟨¯ ρ2(−q)¯ ρ2(q)⟩ of the ground state at n = 3 2 in the adiabatic model. Here ⟨ ˆ O⟩ = 1 N GS
FIG. 2. Phase diagram of adiabatic model. (a) Lowlying energy spectrum on cluster 28 as a function of twist angle θ. (b) Modified structure factor evaluated at q = m as a function of twist angle θ. Overlap of ground state with the Pfaffian (c) and anti-Pfaffian (d) model wavefunctions as a function of θ on clusters 24 and 26 [34]. ϵ = 5 is used.
Anti-topological crystal and non-Abelian liquid in twisted semiconductor bilayers

November 2024

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5 Reads

We show that electron crystals compete closely with non-Abelian fractional Chern insulators in the half-full second moir\'e band of twisted bilayer MoTe2_2. Depending on the twist angle and microscopic model, these crystals can have non-zero or zero Chern numbers. The latter relies on cancellation between contributions from the full first miniband (+1) and the half-full second miniband (-1). For this reason, we call it an anti-topological crystal. Surprisingly, it occurs despite the lowest two non-interacting bands in a given valley having the same Chern number of +1. The anti-topological crystal is a novel type of electron crystal that may appear in systems with multiple Chern bands at filling factors n>1n > 1.


Nonreciprocal superconductivity

November 2024

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23 Reads

Science Advances

We introduce the notion of nonreciprocal superconductors where inversion and time-reversal symmetries are broken, giving rise to an asymmetric energy dispersion. We demonstrate that nonreciprocal superconductivity can be detected by Andreev reflection. In particular, a transparent junction between a normal metal and a nonreciprocal superconductor generally exhibits an asymmetric current-voltage characteristic, which serves as a defining feature of nonreciprocal superconductivity. Unlike the superconducting diode effects, our detection scheme has the advantage of avoiding large critical currents that turn the superconducting state to normal. Last, we discuss candidates for nonreciprocal superconductivity, including graphene, UTe 2 , as well as engineered platforms.


Citations (58)


... Unlike the conventional Hermitian setup, the biorthogonal quantum geometry tensor in a non-Hermitian model is defined using the left and right eigenvectors |ψ (n) R ⟩ and |ψ (n) L ⟩, of the n-th energy band [60-90, 94, 101-104]. This tensor can be defined as a matrix in the r-dimensional subspace spanned by r selected occupied bands [48,[105][106][107][108][109][110][111][112]: ...

Reference:

Nonlinear Hall effects with an exceptional ring
Probing quantum geometry through optical conductivity and magnetic circular dichroism
  • Citing Article
  • December 2024

Science Advances

... Compared to human-designed trial wavefunctions, neural network wavefunctions contain a large number of parameters, has enormous representation power, and can be optimized efficiently. NN-VMC has been shown to be highly accurate in calculating the ground state energy of interacting electrons in atoms and molecules [9][10][11][12][13], lattice models [6,14,15], uniform electron gas [16][17][18][19][20][21], moire semiconductors [22,23], and fractional quantum Hall liquids [24,25]. ...

Solving and visualizing fractional quantum Hall wavefunctions with neural network

... As an illustrative example applying our results, we now derive the recent observation, made in several recent works [3,28,44,51,52], that superlattices with honeycomb geometry have a stronger propensity to form topological minibands than triangular ones. To see this, let us focus on the n ¼ 3 column in Table I and rely on the long-wavelength formula for the Chern number C 3 ¼ C (mod 3). ...

Designing Topology and Fractionalization in Narrow Gap Semiconductor Films via Electrostatic Engineering
  • Citing Article
  • November 2024

Physical Review Letters

... However, BCD-induced NLHE requires stringent symmetry conditions such as the breaking of inversion and C 3 rotation symmetry 6,12,13 , and its magnitude diminishes sharply as temperature increases due to its sensitivity to electronic band structures 8,9 . As a result, there are only a few reports of roomtemperature stable NLHE to date, as exemplified by semimetals TaIrTe 4 14 and BaMnSb 2 15 , semiconductor BiTeBr 12 , and metal Pt 16 . BCD-induced NLHE is predominantly a low-temperature phenomenon. ...

Colossal room-temperature non-reciprocal Hall effect

Nature Materials

... Thus, the particle entanglement spectrum provides further evidence that the states are indeed the MR states. Interestingly, for the half-filled first excited Landau level in 2D with Coulomb interactions, commonly regarded as the MR states, a gap below which the number of states satisfies the MR counting rule exists when n e = 10 and n a = 4 but is absent when n e = 12 and n a = 4 [71]. Charge density waves.-We ...

Non-Abelian Fractionalization in Topological Minibands
  • Citing Article
  • October 2024

Physical Review Letters

... Along this work we will consider only the direct part of the Coulomb interaction and neglect the exchange component, since in 2D semiconductors, the typical energy scale of the former has been shown more than one order of magnitude larger than the latter [2,29]. "Bandgap renormalization" is an observed effect associated to changes in the dielectric environment [30,31,32,33]. Because of it, the quantities E I B and E II B are expected to differ in an amount whose absolute value increases as the difference between dielectric constants of the 2D semiconductor and the locally surrounding dielectric raises. ...

Universal relation between energy gap and dielectric constant
  • Citing Article
  • October 2024

... The realm of nontrivial band topology includes phases such as topological insulators [19][20][21], Dirac semimetals [22][23][24], and Weyl semimetals [25][26][27]. To integrate the two essential ingredients together for realizing MZMs, tremendous experimental efforts are devoted to developing heterostructures consisting of topological insulators and conventional superconductors, where topological surface states acquire a superconducting gap by the proximity effect [28][29][30][31][32][33][34]. However, challenges such as complex interfaces and low working temperatures often hinder the detection and manipulation of MZMs in such systems. ...

Signatures of hybridization of multiple Majorana zero modes in a vortex

Nature

... As shown in Figure 3D, the nonlinear Hall effect of the 4 SLs MnBi 2 Te 4 is measured along both the transverse and longitudinal directions. Significant responses are observed in the two directions, aligning with predictions that the quantum metric dipole can drive both nonlinear Hall response and non-reciprocal transport phenomena [69]. This is in stark contrast to the nonlinear Hall effect induced by the Berry curvature dipole, which only manifests the Hall response [70]. ...

An antiferromagnetic diode effect in even-layered MnBi2Te4