Related papers: The ALPS project release 2.0: Open source software…
Tropical algebra, including max-plus, min-plus, and related idempotent semirings, provides a unifying framework in which many optimization problems that are nonlinear in classical algebra become linear. This property makes tropical methods…
We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…
We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…
LLMs are rapidly being adopted to build powerful tools and agents for software engineering, but most of them rely heavily on extremely large closed-source models. This, in turn, can hinder wider adoption due to security issues as well as…
The ALICE Collaboration has just finished a major detector upgrade that increases the data-taking rate capability by two orders of magnitude and will allow to collect unprecedented data samples. For example, the analysis input for 1 month…
We present solidfmm, a highly optimised C++ library for the solid harmonics as they are needed in fast multipole methods. The library provides efficient, vectorised implementations of the translation operations M2M, M2L, and L2L, and is…
Liquid Chromatography Mass Spectrometry (LC-MS) is an indispensable analytical technique in proteomics, metabolomics, and other life sciences. While OpenMS provides advanced open-source software for MS data analysis, its complexity can be…
Electromagnetic simulations form an indispensable part of the design and optimization process for superconducting quantum devices. Although several commercial platforms exist, open-source alternatives optimized for high-performance…
The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…
Two cluster algorithms, based on constructing and flipping loops, are presented for worldline quantum Monte Carlo simulations of fermions and are tested on the one-dimensional repulsive Hubbard model. We call these algorithms the loop-flip…
Quantum embedding (QE) methods such as the Ghost Gutzwiller Approximation (gGA) offer a powerful approach to simulating strongly-correlated systems, but come with the computational bottleneck of computing the ground state of an auxiliary…
We present an open source software package SpectroLab a Matlab-based tool developed in 2018 for the analysis of spectroscopic data. In this package, there are tools for derivative analysis, stacked energy contours, stacked plots for theory,…
Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…
We present the CALVADOS package for performing simulations of biomolecules using OpenMM and the coarse-grained CALVADOS model. The package makes it easy to run simulations using the family of CALVADOS models of biomolecules including…
Quantum simulation of Lattice Gauge Theories has been proposed and used as a method to overcome theoretical difficulties in dealing with the non-perturbative nature of such models. In this work we focus on two important bottlenecks that…
The Hubbard model is one of the primary models for understanding the essential many-body physics in condensed matter systems such as Mott insulators and cuprate high-Tc superconductors. Recent advances in atomically precise fabrication in…
We introduce SeeMPS, a Python library dedicated to implementing tensor network algorithms based on the well-known Matrix Product States (MPS) and Quantized Tensor Train (QTT) formalisms. SeeMPS is implemented as a complete finite precision…
We present an update of BQCD, our Hybrid Monte Carlo program for simulating lattice QCD. BQCD is one of the main production codes of the QCDSF collaboration and is used by CSSM and in some Japanese finite temperature and finite density…
We present the full public release of all data from the Illustris simulation project. Illustris is a suite of large volume, cosmological hydrodynamical simulations run with the moving-mesh code Arepo and including a comprehensive set of…
Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, critical phenomena, and the magnetocaloric effect. Lattice…