Related papers: The PUMAS library
PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…
Creating and maintaining computer readable geometries for use in Monte Carlo Radiation Transport (MCRT) simulations is an error-prone and time-consuming task. Simulating a system often requires geometry from different sources and modelling…
This paper presents OpTaS, a task specification Python library for Trajectory Optimization (TO) and Model Predictive Control (MPC) in robotics. Both TO and MPC are increasingly receiving interest in optimal control and in particular…
Processing-using-DRAM (PUD) architectures impose a restrictive data layout and alignment for their operands, where source and destination operands (i) must reside in the same DRAM subarray (i.e., a group of DRAM rows sharing the same row…
McMule, a Monte Carlo for MUons and other LEptons, implements many major QED processes at NNLO (eg. $ee\to ee$, $e\mu\to e\mu$, $ee\to\mu\mu$, $\ell p\to\ell p$, $\mu\to\nu\bar\nu e$) including effects from the lepton masses, making it…
Fermilab is dedicated to hosting world-class experiments in search of new physics that will operate in the coming years. The Muon g-2 Experiment is one such experiment that will determine with unprecedented precision the muon anomalous…
LAMMPS is a widely popular classical Molecular Dynamics package. It was designed for materials modeling but it is well prepared for simulations in Soft Matter. The use packages like LAMMPS has advantages and disadvantages. The main…
We briefly describe a library that may be used with any e+ e- --> tau+ tau- (n gamma) Monte Carlo program to account for the effects of anomalous tau-tau-gamma couplings. The implementation of this library in KORALZ version 4.04 is…
Probit unfolding models (PUMs) are a novel class of scaling models that allow for items with both monotonic and non-monotonic response functions and have shown great promise in the estimation of preferences from voting data in various…
Knowledge of atmospheric muon flux intensity at large depths is extremely important for neutrino telescopes located deep under ground, water or ice. One of the methods to transform muon sea-level spectrum into depth one is to apply Monte…
A software library for constructing and learning probabilistic models is presented. The library offers a set of building blocks from which a large variety of static and dynamic models can be built. These include hierarchical models for…
Muography (or muon radiography) is an imaging technique that relies on the use of cosmogenic muons as a free and safe radiation source. It can be applied in various fields such as archaeology, civil engineering, geology, nuclear reactor…
Reversibility is a key concept in Markov models and Master-equation models of molecular kinetics. The analysis and interpretation of the transition matrix encoding the kinetic properties of the model relies heavily on the reversibility…
Muography is an imaging technique based on attenuation of the directional muon flux traversing geological or anthropic structures. Several simulation frameworks help to perform muography studies by combining specialised codes from the muon…
Obtaining reliable estimates of the statistical properties of complex macromolecules by computer simulation is a task that requires high computational effort as well as the development of highly efficient simulation algorithms. We present…
Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport…
The discoveries in this paper show that Intelligence Processing Units (IPUs) offer a viable accelerator alternative to GPUs for machine learning (ML) applications within the fields of materials science and battery research. We investigate…
Muon tomography is developing as a promising system to detect high-Z (atomic number) material for ensuring homeland security. In the present work, three kinds of spatial locations of materials which are made of aluminum, iron, lead and…
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…
The covariance matrix adaptation evolution strategy (CMA-ES) has been highly effective in black-box continuous optimization, as demonstrated by its success in both benchmark problems and various real-world applications. To address the need…