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Training deep learning models on limited data while maintaining generalization is one of the fundamental challenges in molecular property prediction. One effective solution is transferring knowledge extracted from abundant datasets to those…

Machine Learning · Computer Science 2024-09-26 Soorin Yim , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Chanhui Lee , Sehui Han

The concept of Virtual Monte Carlo (VMC) has been developed by the ALICE Software Project to allow different Monte Carlo simulation programs to run without changing the user code, such as the geometry definition, the detector response…

Software Engineering · Computer Science 2019-08-13 I. Hrivnacova , D. Adamova , V. Berejnoi , R. Brun , F. Carminati , A. Fasso , E. Futo , A. Gheata , I. Gonzalez Caballero , A. Morsch

The ELIMED (MEDical and multidisciplinary application at ELI Beamlines) beam line is being developed at INFN-LNS with the aim of transporting and selecting in energy proton and ion beams accelerated by laser-matter interaction at ELI…

Finding a software engineering approach that allows for portability, rapid development, and open collaboration for high-performance computing on GPUs and CPUs is a challenge. We implement a portability scheme using the Numba compiler for…

Computational Physics · Physics 2025-05-30 Joanna Piper Morgan , Ilham Variansyah , Braxton Cuneo , Todd S. Palmer , Kyle E. Niemeyer

Ongoing investigations for the improvement of Geant4 accuracy and computational performance resulting by refactoring and reengineering parts of the code are discussed. Issues in refactoring that are specific to the domain of physics…

Computational Physics · Physics 2015-06-11 M. Batic , M. Begalli , M. Han , S. Hauf , G. Hoff , C. H. Kim , M. Kuster , M. G. Pia , P. Saracco , H. Seo , G. Weidenspointner , A. Zoglauer

The equilibrium properties of a single quantum particle (qp) interacting with a classical gas for a wide range of temperatures that explore the system's behavior in the classical as well as in the quantum regime is investigated. Both the…

Quantum Physics · Physics 2015-06-18 Mark O'Callaghan , Bruce N. Miller

In the past few years considerable progress has been made in Monte Carlo simulations of first-order phase transitions and in the analysis of the resulting finite-size data. In this paper special emphasis will be placed on multicanonical…

High Energy Physics - Lattice · Physics 2007-05-23 Wolfhard Janke

Positronium-based imaging requires realistic modelling of positronium (Ps) decay in matter. We introduce a modular Ps decay model implemented in GATE 9.4 and GATE 10, enabling the definition of an arbitrary number of decay channels…

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

Neutron transport along guides is governed by the Liouville theorem and the technology involved has advanced in recent decades. Computer simulations have proven to be useful tools in the design and conception of neutron guide systems in…

Understanding electron drift and diffusion in gases and gas mixtures is a topic of central importance for the development of modern particle detection instrumentation. The industry-standard MagBoltz code has become an invaluable tool during…

Instrumentation and Detectors · Physics 2022-12-02 B. Al Atoum , S. F. Biagi , D. Gonzalez-Diaz , B. J. P Jones , A. D. McDonald

Geant4 is a tool kit developed by a collaboration of physicists and computer professionals in the High Energy Physics field for simulation of the passage of particles through matter. The motivation for the development of the Beam Tools is…

High Energy Physics - Experiment · Physics 2007-05-23 V. Daniel Elvira , P. Lebrun , P. Spentzouris

A new release of the parametric detector Monte Carlo program \verb+SIMDET+ (version 4.01) is now available. We describe the principles of operation and the usage of this program to simulate the response of a detector for the TESLA linear…

High Energy Physics - Experiment · Physics 2007-05-23 M. Pohl , H. J. Schreiber

Quantum Monte Carlo methods find fruitful application in large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in a fluctuating one-body field;…

Nuclear Theory · Physics 2008-02-03 S. E. Koonin

We present a new quantum Monte Carlo algorithm suitable for generically complex problems, such as systems coupled to external magnetic fields or anyons in two spatial dimensions. We find that the choice of gauge plays a nontrivial role, and…

Condensed Matter · Physics 2009-10-22 Lizeng Zhang , Geoff Canright , Ted Barnes

Several pathologies can alter the way people walk, i.e. their gait. Gait analysis can therefore be used to detect impairments and help diagnose illnesses and assess patient recovery. Using vision-based systems, diagnoses could be done at…

Computer Vision and Pattern Recognition · Computer Science 2021-10-07 Pedro Albuquerque , Joao Machado , Tanmay Tulsidas Verlekar , Luis Ducla Soares , Paulo Lobato Correia

Monte Carlo event generators are the central interface between theoretical calculations and experimental measurements in collider physics. Over several decades, a comprehensive and highly modular ecosystem of tools has developed around…

High Energy Physics - Phenomenology · Physics 2026-05-18 Melissa van Beekveld , Enrico Bothmann , Andy Buckley , Christian Gütschow , Peter Skands , Ramon Winterhalder

The Geant4 toolkit is the standard for simulating the passage of particles through matter, but its conventional architecture often requires users to modify and recompile C++ code to alter fundamental simulation parameters such as geometry,…

High Energy Physics - Experiment · Physics 2025-12-13 Jing Liu

We perform a comprehensive analysis of the quantum-enhanced Monte Carlo method [Nature, 619, 282-287 (2023)], aimed at identifying the optimal working point of the algorithm. We observe an optimal mixing Hamiltonian strength and analyze the…

Quantum Physics · Physics 2025-07-01 Johannes Christmann , Petr Ivashkov , Mattia Chiurco , Guglielmo Mazzola

Geometric phase is a promising element to induce high-fidelity and robust quantum operations due to its built-in noise-resilience feature. Unfortunately, its practical applications are usually circumscribed by requiring complex interactions…

Quantum Physics · Physics 2020-12-08 Tao Chen , Zheng-Yuan Xue
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