Related papers: PySCo: A fast Particle-Mesh $N$-body code for modi…
Motivated by the growing demand for low-precision arithmetic in computational science, we exploit lower-precision emulation in Python -- widely regarded as the dominant programming language for numerical analysis and machine learning.…
High-fidelity simulation has become essential to the design and control of soft robots, where large geometric deformations and complex contact interactions challenge conventional modeling tools. Recent advances in the field demand…
Sparse linear algebra is a cornerstone of many scientific computing and machine learning applications. Python has become a popular choice for these applications due to its simplicity and ease of use. Yet high performance sparse kernels in…
The "gravitational million-body problem," to model the dynamical evolution of a self-gravitating, collisional N-body system with ~10^6 particles over many relaxation times, remains a major challenge in computational astrophysics.…
We present Quantum MASALA, a compact package that implements different electronic structure methods in Python using the plane-wave basis. Within just 8100 lines of pure Python code, we have implemented Density Functional Theory (DFT),…
$N$-body simulations study the dynamics of $N$ particles under the influence of mutual long-distant forces such as gravity. In practice, $N$-body codes will violate Newton's third law if they use either an approximate Poisson solver or…
The complex structure of interplanetary magnetic fields and their variability, due to solar activity, make it necessary to compute the Cosmic Ray (CR) modulation with numerical simulations. COde for a Speedy Monte Carlo (MC) Involving Cuda…
We introduce a new code for cosmological simulations, PHoToNs, which has features on performing massive cosmological simulations on heterogeneous high performance Computer (HPC) and threads oriented programming. PHoToNs adopts a hybrid…
pyssam is a Python library for creating statistical shape and appearance models (SSAMs) for biological (and other) shapes such as bones, lungs or other organs. A point cloud best describing the anatomical 'landmarks' of the organ are…
We describe the construction of an N-body simulation that mimics the true velocity and mass-density fields in a box of side 256\hmpc about the Local Group , and the production of mock catalogs that mimic in detail current catalogs of…
In a previous paper we introduced a new method for simulating collisional gravitational $N$-body systems with linear time scaling on $N$, based on the Multi-Particle Collision (MPC) approach. This allows us to simulate globular clusters…
The simulation of quantum circuits on classical computers is an important problem in quantum computing. Such simulation requires representations of distributions over very large sets of basis vectors, and recent work has used symbolic…
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…
This article describes a new, fully adaptive Particle-Multiple-Mesh numerical simulation code developed primarily for simulations of small regions (such as a group of galaxies) in a cosmological context. It integrates the equations of…
We present version 1.0 of the cosmological simulation code $\scriptstyle{\rm CO}N{\rm CEPT}$, designed for simulations of large-scale structure formation. $\scriptstyle{\rm CO}N{\rm CEPT}\, 1.0$ contains a P$^3$M gravity solver, with the…
Background: The development, optimization and validation of protein modeling methods require efficient tools for structural comparison. Frequently, a large number of models need to be compared with the target native structure. The main…
Understanding how the brain functions is one of the biggest challenges of our time. The analysis of experimentally recorded neural firing patterns (spike trains) plays a crucial role in addressing this problem. Here, the PySpike library is…
Cosmological $N$-body simulations are typically purely run with particles using Newtonian equations of motion. However, such simulations can be made fully consistent with general relativity using a well-defined prescription. Here, we extend…
Ncorpi$\mathcal{O}$N is a $N$-body software developed for the time-efficient integration of collisional and fragmenting systems of planetesimals or moonlets orbiting a central mass. It features a fragmentation model, based on crater scaling…
Mathematical modeling is a powerful tool in rheology, and we present pyRheo, an open-source package for Python designed to streamline the analysis of creep, stress relaxation, oscillation, and rotation tests. pyRheo contains a comprehensive…