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We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…
The simulation of real-time dynamics in lattice gauge theories is particularly hard for classical computing due to the exponential scaling of the required resources. On the other hand, quantum algorithms can potentially perform the same…
Simulations of energy loss and hadronization are essential for understanding a range of phenomena in non-equilibrium strongly-interacting matter. We establish a framework for performing such simulations on a quantum computer and apply it to…
Lattice gauge theories (LGTs) represent one of the most ambitious goals of quantum simulation. From a practical implementation perspective, non-Abelian theories present significantly tougher challenges than Abelian LGTs. However, it is…
ARC 3.0 is a modular, object-oriented Python library combining data and algorithms to enable the calculation of a range of properties of alkali and divalent atoms. Building on the initial version of the ARC library [N. \v{S}ibali\'c et al,…
QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…
Fully automatic worst-case complexity analysis has a number of applications in computer-assisted program manipulation. A classical and powerful approach to complexity analysis consists in formally deriving, from the program syntax, a set of…
Can high energy physics be simulated by low-energy, non-relativistic, many-body systems, such as ultracold atoms? Such ultracold atomic systems lack the type of symmetries and dynamical properties of high energy physics models: in…
ARES OS 2.0 (hereinafter ARES OS) is an open-source software suite to enable laboratory automation and closed-loop autonomous experimentation. Its function is to orchestrate experimental actions and data handoff between lab equipment,…
XMDS2 is a cross-platform, GPL-licensed, open source package for numerically integrating initial value problems that range from a single ordinary differential equation up to systems of coupled stochastic partial differential equations. The…
We introduce CLAPP (CLASS LLM Agent for Pair Programming), an interactive AI assistant designed to support researchers working with the Einstein-Boltzmann solver CLASS. CLAPP leverages large language models (LLMs) and domain-specific…
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…
Lattice Boltzmann methods are a popular mesoscopic alternative to macroscopic computational fluid dynamics solvers. Many variants have been developed that vary in complexity, accuracy, and computational cost. Extensions are available to…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
The programs described in this article and distributed with it aim (1) at integrating the optical Bloch equations governing the time evolution of the density matrix representing the quantum state of an atomic system driven by laser or…
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…
TeNPy (short for 'Tensor Network Python') is a python library for the simulation of strongly correlated quantum systems with tensor networks. The philosophy of this library is to achieve a balance of readability and usability for…
Measuring unitarily-evolved quantum mechanical two-time correlations is challenging in general. In a recent paper [P.~Uhrich {\em et al.}, Phys.\ Rev.~A {\bf 96}, 022127 (2017)], a considerable simplification of this task has been pointed…
Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…