Publications

Order by: publication date number of citations

Codebase release 1.0 for BlockGen

Enrico Bothmann, Walter Giele, Stefan Hoeche, Joshua Isaacson, Max Knobbe

SciPost Phys. Codebases 3-r1.0 (2022) · published 23 August 2022 | · src

The compute efficiency of Monte-Carlo event generators for the Large Hadron Collider is expected to become a major bottleneck for simulations in the high-luminosity phase. Aiming at the development of a full-fledged generator for modern GPUs, we study the performance of various recursive strategies to compute multi-gluon tree-level amplitudes. We investigate the scaling of the algorithms on both CPU and GPU hardware. Finally, we provide practical recommendations as well as baseline implementations for the development of future simulation programs. The GPU implementations can be found at: https://www.gitlab.com/ebothmann/blockgen-archive.

1 citation
Codebase release 0.1 for jVMC

Markus Schmitt, Moritz Reh

SciPost Phys. Codebases 2-r0.1 (2022) · published 23 August 2022 | · src

The introduction of Neural Quantum States (NQS) has recently given a new twist to variational Monte Carlo (VMC). The ability to systematically reduce the bias of the wave function ansatz renders the approach widely applicable. However, performant implementations are crucial to reach the numerical state of the art. Here, we present a Python codebase that supports arbitrary NQS architectures and model Hamiltonians. Additionally leveraging automatic differentiation, just-in-time compilation to accelerators, and distributed computing, it is designed to facilitate the composition of efficient NQS algorithms.

1 citation
Codebase release 0.1 for infstat

Kyoungchul Kong, Konstantin T. Matchev, Stephen Mrenna, Prasanth Shyamsundar

SciPost Phys. Codebases 14-r0.1 (2023) · published 7 July 2023 | · src

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

1 citation
Codebase release 0.5 for mapyde

Giordon Stark, Camila Aristimuno Ots, Mike Hance

SciPost Phys. Codebases 27-r0.5 (2024) · published 28 February 2024 | · src

Searches for new physics at the Large Hadron Collider have constrained many models of physics beyond the Standard Model. Many searches also provide resources that allow them to be reinterpreted in the context of other models. We describe a reinterpretation pipeline that examines previously untested models of new physics using supplementary information from ATLAS Supersymmetry (SUSY) searches in a way that provides accurate constraints even for models that differ meaningfully from the benchmark models of the original analysis. The public analysis information, such as public analysis routines and serialized probability models, is combined with common event generation and simulation toolkits MADGRAPH, PYTHIA8, and DELPHES into workflows steered by TOML configuration files, and bundled into the mapyde Python package. The use of mapyde is demonstrated by constraining previously untested SUSY models with compressed sleptons and electroweakinos using ATLAS results.

1 citation
divERGe implements various Exact Renormalization Group examples

Jonas B. Profe, Dante M. Kennes, Lennart Klebl

SciPost Phys. Codebases 26 (2024) · published 8 February 2024 | · pdf

We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly integrates with existing, standard tools from the ab-initio community. The code fully supports multi-site, multi-orbital, and non-SU(2) models in all of the three included FRG variants: TU$^2$FRG, N-patch FRG, and grid FRG. With this, the divERGe library paves the way for widespread application of FRG as a tool in the study of competing orders in quantum materials.

1 citation
Codebase release 0.1 for MatsubaraFunctions.jl

Dominik Kiese, Anxiang Ge, Nepomuk Ritz, Jan von Delft, Nils Wentzell

SciPost Phys. Codebases 24-r0.1 (2024) · published 11 January 2024 | · src

The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on introducing MatsubaraFunctions.jl, a Julia library that implements data structures for generalized n-point Green's functions on Matsubara frequency grids. The package's architecture prioritizes user-friendliness without compromising the development of efficient solvers for quantum field theories in equilibrium. Following a comprehensive introduction of the fundamental types, we delve into a thorough examination of key facets of the interface. This encompasses avenues for accessing Green's functions, techniques for extrapolation and interpolation, as well as the incorporation of symmetries and a variety of parallelization strategies. Examples of increasing complexity serve to demonstrate the practical utility of the library, supplemented by discussions on strategies for sidestepping impediments to optimal performance.

1 citation
Codebase release 2.2 for HEJ

Jeppe R. Andersen, Bertrand Ducloué, Conor Elrick, Hitham Hassan, Andreas Maier, Graeme Nail, Jérémy Paltrinieri, Andreas Papaefstathiou, Jennifer M. Smillie

SciPost Phys. Codebases 21-r2.2 (2023) · published 6 December 2023 | · src

We present version 2.2 of the High Energy Jets (HEJ) Monte Carlo event generator for hadronic scattering processes at high energies. The new version adds support for two further processes of central phenomenological interest, namely the production of a W boson pair with equal charge together with two or more jets and the production of a Higgs boson with at least one jet. Furthermore, a new prediction for charged lepton pair production with high jet multiplicities is provided in the high-energy limit. The accuracy of HEJ 2.2 can be increased further through an enhanced interface to standard predictions based on conventional perturbation theory. We describe all improvements and provide extensive usage examples. HEJ 2.2 can be obtained from https://hej.hepforge.org.

1 citation
Codebase release 1.3 for GrassmannTN

Atis Yosprakob

SciPost Phys. Codebases 20-r1.3 (2023) · published 16 November 2023 | · src

We present GrassmannTN, a Python package for the computation of the Grassmann tensor network. The package is built to assist in the numerical computation without the need to input the fermionic sign factor manually. It prioritizes coding readability by designing every tensor manipulating function around the tensor subscripts. The computation of the Grassmann tensor renormalization group and Grassmann isometries using GrassmannTN are given as the use case examples.

1 citation
Codebase release 1.0 for Nevanlinna.jl

Kosuke Nogaki, Jiani Fei, Emanuel Gull, Hiroshi Shinaoka

SciPost Phys. Codebases 19-r1.0 (2023) · published 13 November 2023 | · src

We introduce a Julia implementation of the recently proposed Nevanlinna analytic continuation method. The method is based on Nevanlinna interpolants and inherently preserves the causality of a response function due to its construction. For theoretical calculations without statistical noise, this continuation method is a powerful tool to extract real-frequency information from numerical input data on the Matsubara axis. This method has been applied to first-principles calculations of correlated materials. This paper presents its efficient and full-featured open-source implementation of the method including the Hamburger moment problem and smoothing.

1 citation
DFT2kp: Effective kp models from ab-initio data

João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

SciPost Phys. Codebases 25 (2024) · published 5 February 2024 | · pdf

The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

1 citation

Previous 1 2 3 4 5 6 Next

Publications

1 citation

1 citation

1 citation

1 citation

1 citation

1 citation

1 citation

1 citation

1 citation

1 citation