Related papers: The ALPS project: open source software for strongl…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…
An open source software package for performing dynamic RMS simulation of small to medium-sized power systems is presented, written entirely in the Python programming language. The main objective is to facilitate fast prototyping of new wide…
One of the methods proposed in the last years for studying non-perturbative gauge theory physics is quantum simulation, where lattice gauge theories are mapped onto quantum devices which can be built in the laboratory, or quantum computers.…
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…
Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and…
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…
The use of open-access software is an option that can be considered by those interested in power system studies. In addition, the combination of two or more of these tools can expand the capabilities and the fields of application of each…
The effective lattice models in strongly correlated electron systems are \emph{derived} in particular for the cuprate superconductors, that incorporate the quantum fluctuations of the spin Berry's phase and the antiferromagnetic…
Machine learning is an important tool for analyzing high-dimension hyperspectral data; however, existing software solutions are either closed-source or inextensible research products. In this paper, we present cuvis.ai, an open-source and…
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,…
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…
We present the AMPS algorithm, a finite element solution method that combines principal submatrix updates and Schur complement techniques, well-suited for interactive simulations of deformation and cutting of finite element meshes. Our…
Dense linear algebra libraries, such as BLAS and LAPACK, provide a relevant collection of numerical tools for many scientific and engineering applications. While there exist high performance implementations of the BLAS (and LAPACK)…
A large number of computational scientific research projects make use of open source software packages. However, the development process of such tools frequently differs from conventional software development; partly because of the nature…
Non-Hermitian quantum systems exhibit unique properties and hold significant promise for diverse applications, yet their dynamical simulation poses a particular challenge due to intrinsic openness and non-unitary evolution. Here, we…
We develop holographic quantum simulation techniques to prepare correlated electronic ground states in quantum matrix product state (qMPS) form, using far fewer qubits than the number of orbitals represented. Our approach starts with a…
The traditional approach for studying the physics of the strong interactions employs a basic computational construct originally proposed by Wilson in the 1970s. Over the years additional enhancements have been added to this formulation to…
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…
A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate computations are often too expensive to be ever feasible. Here we…