arXiv subjects

Lukas Mazur

Publications and source records attributed to Lukas Mazur.

17 recordsLinked to original sources

arXiv2024

SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations

The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub.

hep-lat↗

arXiv2023

Viscosity of pure-glue QCD from the lattice

We calculate shear viscosity and bulk viscosity in SU(3) gauge theory on the lattice at $1.5 \,T_c$. The viscosities are extracted via a Kubo formula from the reconstructed spectral function which we determine from the Euclidean-time dependence of the corresponding channel of the energy-momentum tensor correlators. We obtain unprecedented precision for the correlators by applying gradient flow and blocking methods. The correlators are extrapolated to the continuum and then to zero flow time. To extract the viscosities we fit theoretically inspired models to the lattice data and crosscheck the fit results using the Backus Gilbert method. The final estimates for shear and bulk viscosity are $η/s = 0.15-0.48$ and $ζ/s = 0.017-0.059$.

hep-lat↗

arXiv2022

Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers

A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory (RDMFT) formulation of the electronic structure problem. For that purpose, the density-matrix functional of the full system is decomposed into an indirectly coupled sum of density-matrix functionals for all its subsystems using the adaptive cluster approximation to RDMFT. The approximations involved in the decomposition and the adaptive cluster approximation itself can be systematically converged to the exact result. The solutions for the density-matrix functionals of the effective subsystems involves a constrained minimization over many-particle states that are approximated by parametrized trial states on the quantum computer similarly to the variational quantum eigensolver. The independence of the density-matrix functionals of the effective subsystems introduces a new level of parallelization and allows for the computational treatment of much larger molecules on a quantum computer with a given qubit count. In addition, for the proposed algorithm techniques are presented to reduce the qubit count, the number of quantum programs, as well as its depth. The new approach is demonstrated for Hubbard-like systems on IBM quantum computers based on superconducting transmon qubits.

quant-ph↗

arXiv2022

Lattice QCD noise reduction for bosonic correlators through blocking

We propose a method to substantially improve the signal-to-noise ratio of lattice correlation functions for bosonic operators or other operator combinations with disconnected contributions. The technique is applicable for correlations between operators on two planes (zero momentum correlators) when the dimension of the plane is larger than the separation between the two planes which are correlated. In this case, the correlation arises primarily from points whose in-plane coordinates are close, but noise arises from all pairs of points. By breaking each plane into bins and computing bin-bin correlations, it is possible to capture these short-distance correlators exactly while replacing (small) correlators at large spatial extent with a fit, with smaller uncertainty than the data. The cost is only marginally larger than averaging each plane before correlating, but the improvement in signal-to-noise can be substantial. We test the method on correlators of the gradient-flowed topological charge density and squared field strength, finding noise reductions by a factor of $\sim$ 3$-$7 compared to the conventional approach on the same ensemble of configurations.

hep-lat↗

arXiv2022

Spectral reconstruction details of a gradient-flowed color-electric correlator

In a recently published work we provide a proof-of-concept of a novel method to extract the heavy quark momentum diffusion coefficient from color-electric correlators on the lattice using gradient flow. The transport coefficient can be found in the infrared limit of the corresponding spectral function which is reconstructed through perturbative model fits of the correlator data. In this proceedings report we want to give more detailed insights into the systematic uncertainties of this procedure and compare our results with other studies.

hep-lat↗

arXiv2021

Eigenvalue spectra of QCD and the fate of $U_A(1)$ breaking towards the chiral limit

The finite temperature phase diagram of QCD with two massless quark flavors is not yet understood because of the subtle effects of anomalous $U_A(1)$ symmetry. In this work we address this issue by studying the fate of the anomalous $U_A(1)$ symmetry in $2+1$ flavor QCD just above the chiral crossover transition temperature $T_c$, lowering the light quark mass towards the chiral limit along line of constant physical strange quark mass. We use the gauge configurations generated using the Highly Improved Staggered Quark (HISQ) discretization on lattice volumes $32^3\times8$ and $56^3\times 8$ to study the renormalized eigenvalue spectrum of QCD with valence overlap Dirac operator. We have implemented new numerical techniques that have allowed us to measure about $100$-$200$ eigenvalues of the gauge ensembles with light quark masses $\gtrsim 0.6$ MeV. From a detailed analysis of the dependence of the renormalized eigenvalue spectrum and $U_A(1)$ breaking observables on the light quark mass, our study suggests $U_A(1)$ is broken at $T\gtrsim T_c$ even when the chiral limit is approached.

hep-lat↗

arXiv2021

Continuum extrapolation of the gradient-flowed color-magnetic correlator at $1.5\,T_c$

In a recently published work we employ gradient flow on the lattice to extract the leading contribution of the heavy quark momentum diffusion coefficient in the heavy quark limit from calculations of a well-known two-point function of color-electric field operators. In this article we want to report the progress of calculating the recently derived color-magnetic correlator that encodes a finite mass correction to this transport coefficient. The calculations we present here are based on the same ensemble of quenched gauge configurations at $1.5\, T_c$ that we previously used for the color-electric correlator.

hep-lat↗

arXiv2021

HotQCD on Multi-GPU Systems

We present $\texttt{SIMULATeQCD}$, HotQCD's software for performing lattice QCD calculations on GPUs. Started in late 2017 and intended as a full replacement of the previous single GPU lattice QCD code used by the HotQCD collaboration, our software has been developed into an extensive framework for lattice QCD calculations distributed on multiple GPUs over many compute nodes. The code is built on C++, CUDA, and MPI and leverages modern C++ language features to provide high-level data structures, objects, and algorithms that allow users to express lattice QCD calculations in an intuitive way without sacrificing performance. Implemented algorithms range from gradient flow, correlator measurements, and mixed precision conjugate gradient solvers all the way to full HISQ gauge field configuration generation using RHMC. After successful deployment in large-scale computing projects, we want to share the result of our efforts with the lattice QCD community by making it publicly available. In these proceedings, we will present some of the key features of our code, demonstrate its ease of use, and show benchmarks of performance critical kernels on state-of-the-art supercomputers.

hep-lat↗

arXiv2021

The sphaleron rate from Euclidean lattice correlators: an exploration

We show how the sphaleron rate (the Minkowski rate for topological charge diffusion) can be determined by analytical continuation of the Euclidean topological-charge-density two-point function, which we investigate on the lattice, using gradient flow to reduce noise and provide improved operators which more accurately measure topology. We measure the correlators on large, fine lattices in the quenched approximation at $1.5\,T_c$ with high precision. Based on these data we first perform a continuum extrapolation at fixed physical flow time and then extrapolate the continuum estimates to zero flow time. The extrapolated correlators are then used to study the sphaleron rate by spectral reconstruction based on perturbatively motivated models.

hep-lat↗

arXiv2021

Heavy quark momentum diffusion from the lattice using gradient flow

We apply the gradient flow on a color-electric two-point function that encodes the heavy quark momentum diffusion coefficient. The simulations are done on fine isotropic lattices in the quenched approximation at $1.5\,T_c$. The continuum extrapolation is performed at fixed flow time followed by a second extrapolation to zero flow time. Perturbative calculations of this correlation function under Wilson flow are used to enhance the extrapolations of the non-perturbative lattice correlator. The final estimate for the continuum correlator at zero flow time largely agrees with one obtained from a previous study using the multi-level algorithm. We perform a spectral reconstruction based on perturbative model fits to estimate the heavy quark momentum diffusion coefficient. The approach we present here yields high-precision data for the correlator and is also applicable for actions with dynamical fermions.

hep-lat↗

arXiv2020

Open-Boundary Conditions in the Deconfined Phase

In this work, we consider open-boundary conditions at high temperatures, as they can potentially be of help to measure the topological susceptibility. In particular, we measure the extent of the boundary effects at $T=1.5T_c$ and $T=2.7T_c$. In the first case, it is larger than at $T=0$ while we find it to be smaller in the second case. The length of this "boundary zone" is controlled by the screening masses. We use this fact to measure the scalar and pseudo-scalar screening masses at these two temperatures. We observe a mass gap at $T=1.5T_c$ but not at $T=2.7T_c$. Finally, we use our pseudo-scalar channel analysis to estimate the topological susceptibility. The results at $T=1.5T_c$ are in good agreement with the literature. At $T=2.7T_c$, they appear to suffer from topological freezing, impeding us from providing a precise determination of the topological susceptibility. It still provides us with a lower bound, which is already in mild tension with some of the existing results.

hep-lat↗

arXiv2020

QCD phase transition in the chiral limit

We present a lattice QCD based determination of the chiral phase transition temperature in QCD with two massless (up and down) and one strange quark having its physical mass. We propose and calculate two novel estimators for the chiral transition temperature for several values of the light quark masses, corresponding to Goldstone pion masses in the range of $58~{\rm MeV}\lesssim m_π\lesssim 163~{\rm MeV}$. The chiral phase transition temperature is determined by extrapolating to vanishing pion mass using universal scaling analysis. After thermodynamic, continuum and chiral extrapolations we find the chiral phase transition temperature $T_c^0=132^{+3}_{-6}$ MeV. We also present some preliminary calculations on interplay of effective $U_A(1)$ restoration and chiral phase transition towards chiral limit.

hep-lat↗

arXiv2020

Euclidean correlation functions of the topological charge density

We present first results of our study on the Euclidean topological charge density correlation function. In order to get a well defined topological charge density and to improve the signal of the correlation function at large separations we make use of the gradient flow. We investigate the flow-time dependence on fine quenched lattices. The final goal of this study is to perform a continuum extrapolation for the pure SU(3) plasma and to extract the related transport coefficient, the sphaleron rate.

hep-lat↗

arXiv2019

Color-electric correlation functions under gradient flow

We report on the progress of our study on the color-electric correlation functions under gradient flow on the lattice. This calculation is the first step of our long-term project to estimate a series of important transport coefficients, of which the heavy quark momentum diffusion coefficient is our first attempt, as it can be extracted from a color-electric correlation function that has been calculated non-perturbatively using noise reduction technique in the quenched approximation [1]. By comparing the flowed correlation function with those obtained by other signal-improving techniques, for instance the multi-level algorithm used in [1], one can gain insight into the applicability of the gradient flow and the renormalization of the correlation functions. We start with quenched, isotropic lattices. Currently we have finished measuring the color-electric correlation functions on 4 different lattices with $β$-values corresponding to a temperature of $T\approx 1.5T_c$. We perform a continuum extrapolation on the flowed correlators at fixed physical flow times followed by an extrapolation of the continuum estimate back to zero flow time. The next step is to extend the study to different temperatures and to extend the study to dynamical QCD.

hep-lat↗

arXiv2018

The fate of axial U(1) in 2+1 flavor QCD towards the chiral limit

The region of the Columbia plot with two light quark flavors is not yet conclusively understood. Non-perturbative effects, e.g. the magnitude of the anomalous U(1) axial symmetry breaking, decides on the nature of the phase transition in this region. We report on our study of this region of the Columbia plot using lattice techniques. We use gauge field ensembles generated within the Highly Improved Staggered Quark discretization scheme, with the strange quark mass fixed at its physical value and the light quark mass varied such that $m_l=m_s/27$ and $m_s/40$, where $m_l=m_s/27$ corresponds to the physical light quark mass. We study the eigenvalue spectrum of QCD using the overlap Dirac operator on these gauge field ensembles at finite temperature around the chiral transition temperature $T_c$, as the light quark masses approach the chiral limit, and infer about the fate of the anomalous $U_A(1)$ symmetry breaking.

hep-lat↗

arXiv2018

Charmonium and bottomonium spectral functions in the vector channel

In this paper we report our results on quarkonium spectral functions in the vector channel obtained from quenched lattice QCD simulations at $T\in[0.75, 2.25]~T_c$. The calculations have been performed on very large and fine isotropic lattices where both charm and bottom quarks can be treated relativistically. The spectral functions are reconstructed using the Maximum Entropy Method. We study the dissociation of quarkonium states from the temperature dependence of the spectral functions and estimate heavy quark diffusion coefficients using the low-frequency behavior of the vector spectral functions.

hep-lat↗

arXiv2017

Thermal Simulations, Open Boundary Conditions and Switches

$SU(N)$ gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

hep-lat↗