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A general purpose, self-adapting, Monte Carlo (MC) event generator (simulator) is described. The high efficiency of the MC, that is small maximum weight or variance of the MC weight is achieved by means of dividing the integration domain…
Classical molecular dynamics simulation is performed mostly using the established velocity Verlet integrator or other symplectic propagation schemes. In this work, an alternative formulation of numerical propagators for classical molecular…
Monte Carlo methods provide detailed and accurate results for radiation transport simulations. Unfortunately, the high computational cost of these methods limits its usage in real-time applications. Moreover, existing computer codes do not…
A series of far-detector programs have been proposed for operation at various interaction points of the Large Hadron Collider during the upcoming runs. Investigating the potential and complementarity of these experiments for new-physics…
The MeMC is an open-source software package for monte-carlo simulation of elastic shells. It is designed as a tool to interpret the force-distance data generated by indentation of biological nano-vesicles by atomic force microscopes. The…
Uncertainty analysis in the outcomes of model predictions is a key element in decision-based material design to establish confidence in the models and evaluate the fidelity of models. Uncertainty Propagation (UP) is a technique to determine…
The PUMAS library is a transport engine for muon and tau leptons in matter. It can operate with a configurable level of details, from a fast deterministic CSDA mode to a detailed Monte~Carlo simulation. A peculiarity of PUMAS is that it is…
We introduce DISTAL, a compiler for dense tensor algebra that targets modern distributed and heterogeneous systems. DISTAL lets users independently describe how tensors and computation map onto target machines through separate format and…
In order to construct accurate proposers for Metropolis-Hastings Markov Chain Monte Carlo, we integrate ideas from probabilistic graphical models and neural networks in an open-source framework we call Lightweight Inference Compilation…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Large Language Models (LLMs) are increasingly being leveraged for generating and translating scientific computer codes by both domain-experts and non-domain experts. Fortran has served as one of the go to programming languages in legacy…
The evaluation of one-loop matrix elements is one of the main bottlenecks in precision calculations for the high-luminosity phase of the Large Hadron Collider. To alleviate this problem, a new C++ interface to the MCFM parton-level Monte…
We present a novel probabilistic programming framework that couples directly to existing large-scale simulators through a cross-platform probabilistic execution protocol, which allows general-purpose inference engines to record and control…
Recent developments in the physical model of 1 MeV to 100 TeV hadron and lepton interactions with nuclei and atoms are described. These include a new nuclear cross section library, a model for soft pion production, the cascade-exciton…
The algorithm for Monte Carlo simulation of parton-level events based on an Artificial Neural Network (ANN) proposed in arXiv:1810.11509 is used to perform a simulation of $H\to 4\ell$ decay. Improvements in the training algorithm have been…
Monte Carlo simulations are widely used to simulate complex molecular systems, but standard approaches suffer from metastability. Lately, the use of non-local proposal updates in a collective-variable (CV) space has been proposed in several…
Large language model (LLM) inference has been a prevalent demand in daily life and industries. The large tensor sizes and computing complexities in LLMs have brought challenges to memory, computing, and databus. This paper proposes a…
SOL is an open-source library for scalable online learning algorithms, and is particularly suitable for learning with high-dimensional data. The library provides a family of regular and sparse online learning algorithms for large-scale…
We present CRPropa 3.3, the latest release of the publicly available Monte Carlo framework for simulating the propagation of high-energy particles in astrophysical environments. This version introduces significant extensions that enables…
We present an updated version of the SimProp Monte Carlo code: a simulation scheme to study the propagation of ultra-high-energy cosmic rays through diffuse extragalactic background radiation. The new version of the code presents two…