Publications

Order by: publication date number of citations

• Codebase release 3.4 for NetKet

  Filippo Vicentini, Damian Hofmann, Attila Szabó, Dian Wu, Christopher Roth, Clemens Giuliani, Gabriel Pescia, Jannes Nys, Vladimir Vargas-Calderón, Nikita Astrakhantsev, Giuseppe Carleo

  SciPost Phys. Codebases 7-r3.4 (2022) · published 24 August 2022 | Toggle abstract · src

  We introduce version 3 of NetKet, the machine learning toolbox for many-body quantum physics. NetKet is built around neural-network quantum states and provides efficient algorithms for their evaluation and optimization. This new version is built on top of JAX, a differentiable programming and accelerated linear algebra framework for the Python programming language. The most significant new feature is the possibility to define arbitrary neural network ansätze in pure Python code using the concise notation of machine-learning frameworks, which allows for just-in-time compilation as well as the implicit generation of gradients thanks to automatic differentiation. NetKet 3 also comes with support for GPU and TPU accelerators, advanced support for discrete symmetry groups, chunking to scale up to thousands of degrees of freedom, drivers for quantum dynamics applications, and improved modularity, allowing users to use only parts of the toolbox as a foundation for their own code.

  2 citations

• Analysis of radiation damage in silicon charge-coupled devices used for dark matter searches

  Steven J. Lee

  SciPost Phys. Proc. 12, 030 (2023) · published 4 July 2023 | Toggle abstract · pdf

  Nuclear recoils in crystal detectors generate radiation damage in the form of crystal defects that can be measured in scientific-grade CCDs as local hot spots of leakage current stimulated by temperature increases in the devices. In this proceeding, we use a neutron source to generate defects in DAMIC-M CCDs, and using increases in leakage current at different temperatures, we demonstrate a procedure for identifying crystal defects in the CCDs of the DAMIC-M experiment. This is the first time that individual defects generated from nuclear recoils have been studied. This technique could be used to distinguish nuclear recoils from electron recoils in some energy ranges, which would improve the ability of CCD detectors to search for weakly interacting dark matter.

  2 citations

• Codebase release 0.5 for HarmonicBalance.jl

  Jan Košata, Javier del Pino, Toni L. Heugel, Oded Zilberberg

  SciPost Phys. Codebases 6-r0.5 (2022) · published 24 August 2022 | Toggle abstract · src

  HarmonicBalance.jl is a publicly available Julia package designed to simplify and solve systems of periodic time-dependent nonlinear ordinary differential equations. Time dependence of the system parameters is treated with the harmonic balance method, which approximates the system's behaviour as a set of harmonic terms with slowly-varying amplitudes. Under this approximation, the set of all possible steady-state responses follows from the solution of a polynomial system. In HarmonicBalance.jl, we combine harmonic balance with contemporary implementations of symbolic algebra and the homotopy continuation method to numerically determine all steady-state solutions and their associated fluctuation dynamics. For the exploration of involved steady-state topologies, we provide a simple graphical user interface, allowing for arbitrary solution observables and phase diagrams. HarmonicBalance.jl is a free software available at https://github.com/NonlinearOscillations/HarmonicBalance.jl.

  1 citation

• A proposal to extract and enhance four-Majorana interactions in hybrid nanowires

  Tasnum Reza, Sergey M. Frolov, David Pekker

  SciPost Phys. 13, 120 (2022) · published 7 December 2022 | Toggle abstract · pdf

  We simulate the smallest building block of the Sachdev-Ye-Kitaev (SYK) model, a system of four interacting Majorana modes. We propose a 1D Kitaev chain that has been split into three segments, i.e., two topological segments separated by a non-topological segment in the middle, hosting four Majorana Zero Modes at the ends of the topological segments. We add a non-local interaction term to this Hamiltonian which produces both bilinear (two-body) interactions and a quartic (four-body) interaction between the Majorana modes. We further tune the parameters in the Hamiltonian to reach the regime with a finite quartic interaction strength and close to zero bilinear interaction strength, as required by the SYK model. To achieve this, we map the Hamiltonian from Majorana basis to a complex fermion basis, and extract the interaction strengths using a method of characterization of low-lying energy levels and then finding the differences in energies between odd and even parity levels. We show that the interaction strengths can be tuned using two methods - (i) an approximate method of tuning overlapping Majorana wave functions (without non-local interactions) to a zero energy point followed by addition of a non-local interaction, and (ii) a direct parameter space optimization method using a genetic algorithm. We propose that this model could be further extended to more Majorana modes, and show a 6-Majorana model as an example. Since eigenspectral characterization of one-dimensional nanowire devices can be done via tunneling spectroscopy in quantum transport measurements, this study could be performed in experiment.

  1 citation

• A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons

  Emanuel Casiano-Diaz, C. M. Herdman, Adrian Del Maestro

  SciPost Phys. 14, 054 (2023) · published 29 March 2023 | Toggle abstract · pdf

  A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to $L=256$ sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.

  1 citation

• Codebase release 0.2 for Pychastic

  Radost Waszkiewicz, Maciej Bartczak, Kamil Kolasa, Maciej Lisicki

  SciPost Phys. Codebases 11-r0.2 (2023) · published 3 April 2023 | Toggle abstract · src

  In the last decade, Python-powered physics simulations ecosystem has been growing steadily, allowing greater interoperability, and becoming an important tool in numerical exploration of physical phenomena, particularly in soft matter systems. Driven by the need for fast and precise numerical integration in colloidal dynamics, here we formulate the problem of Brownian Dynamics (BD) in a mathematically consistent formalism of the Itō calculus, and develop a Python package to assist numerical computations. We show that, thanks to the automatic differentiation packages, the classical truncated Taylor-Itō integrators can be implemented without the burden of computing the derivatives of the coefficient functions beforehand. Furthermore, we show how to circumvent the difficulties of BD simulations such as calculations of the divergence of the mobility tensor in the diffusion equation and discontinuous trajectories encountered when working with dynamics on $S^2$ and $SO(3)$. The resulting Python package, Pychastic, is capable of performing BD simulations including hydrodynamic interactions at speeds comparable to dedicated implementations in lower-level programming languages, but with a much simpler end-user interface.

  1 citation

• Codebase release 1.0 for Worm Algorithm for Bose-Hubbard and XXZ Models

  Nicolas Sadoune, Lode Pollet

  SciPost Phys. Codebases 9-r1.0 (2022) · published 29 November 2022 | Toggle abstract · src

  We present a novel and open-source implementation of the worm algorithm, which is an algorithm to simulate Bose-Hubbard and sign-positive spin models using a path-integral representation of the partition function. The code can deal with arbitrary lattice structures and assumes spin-exchange terms, or bosonic hopping amplitudes, between nearest-neighbor sites, and local or nearest-neighbor interactions of the density-density type. We explicitly demonstrate the near-linear scaling of the algorithm with respect to the system volume and the inverse temperature and analyze the autocorrelation times in the vicinity of a $U(1)$ second order phase transition. The code is written in such a way that extensions to other lattice models as well as closely-related sign-positive models can be done straightforwardly on top of the provided framework.

  1 citation

• Properties of fermionic systems with the path-integral ground state method

  Sebastian Ujevic, Vinicius Zampronio, Bruno R. de Abreu, Silvio A. Vitiello

  SciPost Phys. Core 6, 031 (2023) · published 20 April 2023 | Toggle abstract · pdf

  We investigate strongly correlated many-body systems composed of bosons and fermions with a fully quantum treatment using the path-integral ground state method, PIGS. To account for the Fermi-Dirac statistics, we implement the fixed-node approximation into PIGS, which we then call FN-PIGS. In great detail, we discuss the pair density matrices we use to construct the full density operator in coordinate representation, a vital ingredient of the method. We consider the harmonic oscillator as a proof-of-concept and, as a platform representing quantum many-body systems, we explore helium atoms. Pure $^4$He systems demonstrate most of the features of the method. Complementarily, for pure $^3$He, the fixed-node approximation resolves the ubiquitous sign problem stemming from anti-symmetric wave functions. Finally, we investigate $^3$He-$^4$He mixtures, demonstrating the method's robustness. One of the main features of FN-PIGS is its ability to estimate any property at temperature $T = 0$ without any additional bias apart from the FN approximation; biases from long simulations are also excluded. In particular, we calculate the correlation function of pairs of equal and opposite spins and precise values of the $^3$He kinetic energy in the mixture.

  1 citation

• Improved Hilbert space exploration algorithms for finite temperature calculations

  Albertus J. J. M. de Klerk, Jean-Sébastien Caux

  SciPost Phys. Core 6, 039 (2023) · published 23 May 2023 | Toggle abstract · pdf

  Computing correlation functions in strongly-interacting quantum systems is one of the most important challenges of modern condensed matter theory, due to their importance in the description of many physical observables. Simultaneously, this challenge is one of the most difficult to address, due to the inapplicability of traditional perturbative methods or the few-body limitations of numerical approaches. For special cases, where the model is integrable, methods based on the Bethe Ansatz have succeeded in computing the spectrum and given us analytical expressions for the matrix elements of physically important operators. However, leveraging these results to compute correlation functions generally requires the numerical evaluation of summations over eigenstates. To perform these summations efficiently, Hilbert space exploration algorithms have been developed which has resulted most notably in the ABACUS library. While this performs quite well for correlations on ground states or low-entropy states, the case of high entropy states (most importantly at finite temperatures or after a quantum quench) is more difficult, and leaves room for improvement. In this work, we develop a new Hilbert space exploration algorithm for the Lieb-Liniger model, specially tailored to optimize the computational order on finite-entropy states for correlations of density-related operators.

  1 citation

• In-plane Fermi surface mapping of ZrSiS and HfSiS by de Haas-van Alphen oscillations

  Bruno Gudac, Mihovil Bosnar, Filip Orbanić, Trpimir Ivšić, Ivan Kokanović, Mario Novak

  SciPost Phys. Proc. 11, 019 (2023) · published 6 June 2023 | Toggle abstract · pdf

  We have conducted a comprehensive experimental investigation of the in-plane de Haas van Alphen quantum oscillations in ZrSiS and HfSiS and compared the results to the ab-initio calculations. We found a moderately good agreement for a set of frequencies located between 100 T and 200 T. These could be associated with extremal orbitals of the electron pockets located around the $k_z=\pm\pi/2c$ planes at the edge of the 1st Brillouin zone. In contrast, the experimentally detected low-frequency set of oscillations found around 20 T could not be reproduced by the calculations. Further refinement of the ab-initio calculation has to be conducted to fully capture all the observed features of the Fermi surface in ZrSiS and HfSiS.

  1 citation