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The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and…

Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-25 Anders Johansson , Evan Weinberg , Christian R. Trott , Megan J. McCarthy , Stan G. Moore

Large language models (LLMs) present intriguing opportunities to enhance user interaction with traditional algorithms and tools in real-world applications. An advanced planning system (APS) is a sophisticated software that leverages…

Artificial Intelligence · Computer Science 2025-07-25 Timothy Tin Long Yu , Mahdi Mostajabdaveh , Jabo Serge Byusa , Rindra Ramamonjison , Giuseppe Carenini , Kun Mao , Zirui Zhou , Yong Zhang

We present a comprehensive discussion on lattice techniques for the simulation of scalar and gauge field dynamics in an expanding universe. After reviewing the continuum formulation of scalar and gauge field interactions in Minkowski and…

Cosmology and Nongalactic Astrophysics · Physics 2021-11-08 Daniel G. Figueroa , Adrien Florio , Francisco Torrenti , Wessel Valkenburg

We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…

Instrumentation and Methods for Astrophysics · Physics 2015-06-16 F. I. Pelupessy , A. van Elteren , N. de Vries , S. L. W. McMillan , N. Drost , S. F. Portegies Zwart

Gauge field theories play a central role in modern physics and are at the heart of the Standard Model of elementary particles and interactions. Despite significant progress in applying classical computational techniques to simulate gauge…

Quantum Physics · Physics 2020-04-15 Zohreh Davoudi , Mohammad Hafezi , Christopher Monroe , Guido Pagano , Alireza Seif , Andrew Shaw

The digital quantum simulation of lattice gauge theories is expected to become a major application of quantum computers. Measurement-based quantum computation is a widely studied competitor of the standard circuit-based approach. We…

High Energy Physics - Lattice · Physics 2024-01-22 Hiroki Sukeno , Takuya Okuda

Many-body systems arising in condensed matter physics and quantum optics inevitably couple to the environment and need to be modelled as open quantum systems. While near-optimal algorithms have been developed for simulating many-body…

Quantum Physics · Physics 2025-09-09 Xie-Hang Yu , Hongchao Li , J. Ignacio Cirac , Rahul Trivedi

Scientific applications continue to rely on legacy Fortran codebases originally developed for homogeneous, CPU-based systems. As High-Performance Computing (HPC) shifts toward heterogeneous GPU-accelerated architectures, many accelerators…

Software Engineering · Computer Science 2025-11-19 Sparsh Gupta , Kamalavasan Kamalakkannan , Maxim Moraru , Galen Shipman , Patrick Diehl

After many years of development of the basic tools, quantum simulation with ultracold atoms has now reached the level of maturity where it can be used to investigate complex quantum processes. Planning of new experiments and upgrading…

Quantum Gases · Physics 2020-07-13 Florian Schäfer , Takeshi Fukuhara , Seiji Sugawa , Yosuke Takasu , Yoshiro Takahashi

Abelian and non-Abelian gauge theories are of central importance in many areas of physics. In condensed matter physics, Abelian U(1) lattice gauge theories arise in the description of certain quantum spin liquids. In quantum information…

Quantum Physics · Physics 2015-06-15 U. -J. Wiese

Understanding the physics of strongly correlated materials is one of the grand challenge problems for physics today. A large class of scientifically interesting materials, from high-$T_c$ superconductors to spin liquids, involve medium to…

Open-source software for cyber-physical systems (CPS) often lacks robust testing involving robotic platforms, resulting in critical errors that remain undetected. This is especially challenging when multiple modules of CPS software are…

Robotics · Computer Science 2026-04-14 Aditya A. Krishnan , Donghoon Kim , Hokeun Kim

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…

Condensed Matter · Physics 2007-05-23 N. Kawashima , J. E. Gubernatis , H. G. Evertz

We address the question of identifying degrees of freedom for quantum systems. Typically, quasi-particle descriptions of correlated matter are based upon the canonical algebras of bosons or fermions. Here we highlight that a special class…

Strongly Correlated Electrons · Physics 2021-01-07 Eoin Quinn

We use quantum link models to construct a quantum simulator for U(N) and SU(N) lattice gauge theories. These models replace Wilson's classical link variables by quantum link operators, reducing the link Hilbert space to a finite number of…

High Energy Physics - Lattice · Physics 2013-11-21 Michael Bögli

We present Lyncs-API, a Python API for Lattice QCD applications currently under development. Lyncs aims to bring several widely used libraries for Lattice QCD under a common framework. Lyncs flexibly links to libraries for CPUs and GPUs in…

High Energy Physics - Lattice · Physics 2022-01-12 Simone Bacchio , Jacob Finkenrath , Christodoulos Stylianou

We propose a method of simulating efficiently many-body interacting fermion lattice models in trapped ions, including highly nonlinear interactions in arbitrary spatial dimensions and for arbitrarily distant couplings. We map products of…

Quantum Physics · Physics 2015-05-30 J. Casanova , A. Mezzacapo , L. Lamata , E. Solano

We consider the augmented Lagrangian method (ALM) as a solver for the fused lasso signal approximator (FLSA) problem. The ALM is a dual method in which squares of the constraint functions are added as penalties to the Lagrangian. In order…

Computation · Statistics 2010-05-28 Heng Lian

We discuss the present state and planned updates of CosmoLattice, a cutting-edge code for lattice simulations of non-linear dynamics of scalar-gauge field theories in an expanding background. We first review current capabilities of the…

Cosmology and Nongalactic Astrophysics · Physics 2024-08-07 Daniel G. Figueroa , Adrien Florio , Francisco Torrenti