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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

There is significant interest in rapid protein simulations because of the time-scale limitations of all-atom methods. Exploiting the low cost and great availability of computer memory, we report a Monte Carlo technique for incorporating…

Biological Physics · Physics 2008-12-04 Artem B. Mamonov , Divesh Bhatt , Derek J. Cashman , Daniel M. Zuckerman

Hamiltonian Monte Carlo (HMC) samples efficiently from high-dimensional posterior distributions with proposed parameter draws obtained by iterating on a discretized version of the Hamiltonian dynamics. The iterations make HMC…

Computation · Statistics 2019-05-03 Khue-Dung Dang , Matias Quiroz , Robert Kohn , Minh-Ngoc Tran , Mattias Villani

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

We present a modification to variational Monte Carlo's linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our…

Strongly Correlated Electrons · Physics 2017-02-07 Luning Zhao , Eric Neuscamman

Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…

The AcerMC Monte Carlo generator gives a possibility to generate some of the Standard Model background processes which were recognised as very dangerous for the searches at LHC, and generation of which was either unavailable or not…

High Energy Physics - Phenomenology · Physics 2009-11-07 Borut Paul Kersevan , Elzbieta Richter-Was

We present the {\tt KKMCee 5.00.2} Monte Carlo event generator for lepton and quark pair production for the high energy electron-positron annihilation process. It is still the most sophisticated event generator for such processes. Its…

High Energy Physics - Phenomenology · Physics 2023-02-03 S. Jadach , B. F. L. Ward , Z. Was , S. A. Yost , A. Siodmok

We review the use of the path integral Monte Carlo (PIMC) methodology to the study of finite-size quantum clusters, with particular emphasis on recent applications to pure and impurity-doped He clusters. We describe the principles of PIMC,…

Chemical Physics · Physics 2016-11-23 Patrick Huang , Yongkyung Kwon , K. Birgitta Whaley

We introduce the Mechanic, a new open-source code framework. It is designed to reduce the development effort of scientific applications by providing unified API (Application Programming Interface) for configuration, data storage and task…

Instrumentation and Methods for Astrophysics · Physics 2015-06-18 Mariusz Słonina , Krzysztof Goździewski , Cezary Migaszewski

For five years now, PHOTOS Monte Carlo for bremsstrahlung in the decay of particles and resonances has been available with an interface to the C++ HepMC event record. The main purpose of the present paper is to document the technical…

High Energy Physics - Phenomenology · Physics 2015-04-29 N. Davidson , T. Przedzinski , Z. Was

The Metropolis-Hastings (MH) algorithm is the prototype for a class of Markov chain Monte Carlo methods that propose transitions between states and then accept or reject the proposal. These methods generate a correlated sequence of random…

Computational Physics · Physics 2011-05-12 Albert H. Mao , Rohit V. Pappu

RunMC is an object-oriented framework aimed to generate and to analyse high-energy collisions of elementary particles using Monte Carlo simulations. This package, being based on C++ adopted by CERN as the main programming language for the…

High Energy Physics - Phenomenology · Physics 2015-06-25 S. Chekanov

Many data structures support dictionaries, also known as maps or associative arrays, which store and manage a set of key-value pairs. A \emph{multimap} is generalization that allows multiple values to be associated with the same key. For…

Data Structures and Algorithms · Computer Science 2011-09-19 Elaine Angelino , Michael T. Goodrich , Michael Mitzenmacher , Justin Thaler

While homomorphic encryption (HE) provides strong privacy protection, its high computational cost has restricted its application to simple tasks. Recently, hyperdimensional computing (HDC) applied to HE has shown promising performance for…

Cryptography and Security · Computer Science 2025-11-04 Jaewoo Park , Chenghao Quan , Jongeun Lee

We describe a new Hybrid Monte Carlo (HMC) algorithm for dynamical overlap fermions, which improves the rate of topological index changes by adding an additional (intensive) term to the action for the molecular dynamics part of the…

High Energy Physics - Lattice · Physics 2012-02-28 Nigel Cundy , Weonjong Lee

Markov chain Monte Carlo (MCMC) is a widely used sampling method in modern artificial intelligence and probabilistic computing systems. It involves repetitive random number generations and thus often dominates the latency of probabilistic…

Hardware Architecture · Computer Science 2023-12-12 Yihan Fu , Daijing Shi , Anjunyi Fan , Wenshuo Yue , Yuchao Yang , Ru Huang , Bonan Yan

In this paper we present a new Monte Carlo Search (MCS) algorithm for finding the ground state energy of proteins in the HP-model. We also compare it briefly to other MCS algorithms not usually used on the HP-model and provide an overview…

Artificial Intelligence · Computer Science 2023-01-26 Milo Roucairol , Tristan Cazenave

The main purpose of this paper is to facilitate the communication between the Analytic, Probabilistic and Algorithmic communities. We present a proof of convergence of the Hamiltonian (Hybrid) Monte Carlo algorithm from the point of view of…

Computation · Statistics 2021-02-05 Soumyadip Ghosh , Yingdong Lu , Tomasz Nowicki