Related papers: Updated Core Libraries of the ALPS Project
Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python…
Accurate particle simulations are essential for the next generation of experiments in astroparticle physics. The Monte Carlo simulation library PROPOSAL is a flexible tool to efficiently propagate high-energy leptons and photons through…
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…
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…
Pre-calculated libraries of molecular fragment configurations have previously been used as a basis for both equilibrium sampling (via "library-based Monte Carlo") and for obtaining absolute free energies using a polymer-growth formalism.…
The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…
We introduce Repro, an open-source library which aims at improving the reproducibility and usability of research code. The library provides a lightweight Python API for running software released by researchers within Docker containers which…
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet. The phonopy and phono3py codes are widely used open…
Optimal use of computing resources requires extensive coding, tuning and benchmarking. To boost developer productivity in these time consuming tasks, we introduce the Experimental Linear Algebra Performance Studies framework (ELAPS), a…
We describe an open-source implementation of the continuous-time interaction-expansion quantum Monte Carlo method for cluster-type impurity models with onsite Coulomb interactions and complex Weiss functions. The code is based on the ALPS…
We leverage highly successful prior projects sponsored by multiple NSF grants and gifts from industry: the BLAS-like Library Instantiation Software (BLIS) and the libflame efforts to lay the foundation for a new flexible framework by…
RSL-RL is an open-source Reinforcement Learning library tailored to the specific needs of the robotics community. Unlike broad general-purpose frameworks, its design philosophy prioritizes a compact and easily modifiable codebase, allowing…
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
Many scientific discoveries are made through, or aided by, the use of simulation software. These sophisticated software applications are not built from the ground up, instead they rely on smaller parts for specific use cases, usually from…
The purpose of analytical continuation is to establish a real frequency spectral representation of single-particle or two-particle correlation function (such as Green's function, self-energy function, and dynamical susceptibilities) from…
Multi-scale computer simulations combine the computationally efficient classical algorithms with more expensive but also more accurate ab-initio quantum mechanical algorithms. This work describes one implementation of multi-scale…
High-quality visualizations are an essential part of robotics research, enabling clear communication of results through figures, animations, and demonstration videos. While Blender is a powerful and freely available 3D graphics platform,…
Massively parallel Fourier transforms are widely used in computational sciences, and specifically in computational fluid dynamics which involves unbounded Poisson problems. In practice the latter is usually the most time-consuming operation…
GPUs are dedicated processors used for complex calculations and simulations and they can be effectively used for tropical algebra computations. Tropical algebra is based on max-plus algebra and min-plus algebra. In this paper we proposed…
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…