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We present mechanoChemML, a machine learning software library for computational materials physics. mechanoChemML is designed to function as an interface between platforms that are widely used for machine learning on one hand, and others for…

Computational Engineering, Finance, and Science · Computer Science 2022-05-03 X. Zhang , G. H. Teichert , Z. Wang , M. Duschenes , S. Srivastava , E. Livingston , J. Holber , M. Faghih Shojaei , A. Sundararajan , K. Garikipati

In these Lecture Notes we review the principles of the Coupled Electron-Ion Monte Carlo methods and discuss some recent results on metallic hydrogen.

Computational Physics · Physics 2015-06-26 Carlo Pierleoni , David M. Ceperley

Monte Carlo evaluation is used to calculate heavy-ion elastic scattering including the center-of-mass correction and the Coulomb interaction.Angular distributions are presented for a number of nuclear pairs over a wide energy range using…

Nuclear Theory · Physics 2015-06-04 W. R. Gibbs , Jean-Pierre Dedonder

The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries…

A Classical Trajectory Monte Carlo (CTMC) simulation has been made of processes of charge exchange and ionization between an hydrogen atom and fully stripped ions embedded in very strong static electric fields ($O(10^{10}$ V/m$)$), which…

Nuclear Theory · Physics 2009-10-28 Luca Salasnich , Fabio Sattin

This study presents a Monte Carlo simulation tool for modeling the transportation processes of thermal electrons in noble liquids, specifically focusing on liquid argon and liquid xenon. The study aims to elucidate the microscopical…

High Energy Physics - Experiment · Physics 2024-03-22 Yijun Xie , Yi Wang

The goal of this study is to find a prescription for defining parton distributions (PDFs) which are most appropriate for use in those codes where only LO matrix elements (MEs) are used, as in many Monte Carlo generators. We describe a…

High Energy Physics - Phenomenology · Physics 2008-07-15 A. Sherstnev , R. S. Thorne

We investigate the Monte Carlo approach to propagation of experimental uncertainties within the context of the established "MSTW 2008" global analysis of parton distribution functions (PDFs) of the proton at next-to-leading order in the…

High Energy Physics - Phenomenology · Physics 2012-08-13 G. Watt , R. S. Thorne

We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…

Soft Condensed Matter · Physics 2009-11-10 Joerg Rottler , A. C. Maggs

We present NeoPDF, an interpolation library that supports both collinear and transverse momentum-dependent parton distribution functions. NeoPDF is designed to be fast and reliable, with modern functionalities that target both current and…

High Energy Physics - Phenomenology · Physics 2025-10-07 Tanjona R. Rabemananjara

Electron transport within nanostructures can be important to varied engineering applications, such as thermoelectrics and nanoelectronics. In theoretical studies, electron Monte Carlo simulations are widely used as an alternative approach…

Applied Physics · Physics 2019-02-20 Qing Hao , Yue Xiao

We report on recent determinations of NNLO parton distributions and of $\alpha_s(M_Z)$ based on the world deep-inelastic data, supplemented by collider data. Some applications are discussed for semi-inclusive processes at the LHC.

High Energy Physics - Phenomenology · Physics 2013-03-19 S. Alekhin , J. Blümlein , S. Moch

Optimising use of the Web (WWW) for LHC data analysis is a complex problem and illustrates the challenges arising from the integration of and computation across massive amounts of information distributed worldwide. Finding the right piece…

Instrumentation and Detectors · Physics 2014-11-18 Nigel Baker , Peter Brooks , Richard McClatchey , Zsolt Kovacs , Jean-Marie Le Goff

Monte Carlo (MC) simulations of lattice models are a widely used way to compute thermodynamic properties of substitutional alloys. A limitation to their more widespread use is the difficulty of driving a MC simulation in order to obtain the…

Statistical Mechanics · Physics 2009-11-07 A. van de Walle , M. Asta

We present an evaluation of the European Data Grid software in the framework of the BaBar experiment. Two kinds of applications have been considered: first, a typical data analysis on real data producing physics n-tuples, and second, a…

TURTLE is a C library providing utilities allowing to navigate through a topography described by a Digital Elevation Model (DEM). The library has been primarily designed for the Monte Carlo transport of particles scattering over medium to…

Computational Physics · Physics 2019-11-27 Valentin Niess , Anne Barnoud , Cristina Cârloganu , Olivier Martineau-Huynh

The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these…

Strongly Correlated Electrons · Physics 2009-11-13 Lucas K. Wagner

Data science workflows often integrate functionalities from a diverse set of libraries and frameworks. Tasks such as debugging require data lineage that crosses library boundaries. The problem is that the way that "lineage" is represented…

Databases · Computer Science 2025-06-24 Jinjin Zhao

Extracting maximal information from experimental data requires access to the likelihood function, which however is never directly available for complex experiments like those performed at high energy colliders. Theoretical predictions are…

High Energy Physics - Phenomenology · Physics 2023-08-11 Siyu Chen , Alfredo Glioti , Giuliano Panico , Andrea Wulzer

The EXFOR library is a useful resource for many people in the field of nuclear physics. In particular, the experimental data in the EXFOR library serves as a starting point for nuclear data evaluations. There is an ongoing discussion about…

Digital Libraries · Computer Science 2021-03-30 Georg Schnabel
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