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We study the dynamics of one-dimensional (1D) interacting particles simulated with the event-chain Monte Carlo algorithm (ECMC). We argue that previous versions of the algorithm suffer from a mismatch in the factor potential between…

Statistical Mechanics · Physics 2019-04-10 Ze Lei , Werner Krauth , A. C. Maggs

We review results obtained using Shell Model Monte Carlo (SMMC) techniques. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; the…

Nuclear Theory · Physics 2009-10-30 S. E. Koonin , D. J. Dean , K. Langanke

We present the updated long write-up for version 1.1 of the SPHINX Monte Carlo. The program can be used to simulate polarized nucleon - nucleon collisions at high energies. Spins of colliding particles are taken into account. The program…

High Energy Physics - Phenomenology · Physics 2007-05-23 Stefan Güllenstern , Oliver Martin , Pawel Gornicki , Lech Mankiewicz , Andreas Schäfer

With the advent of the Large Array Telescope (LAT) on board the Fermi satellite, a new window on the Universe has been opened. Publicly available, the Fermi-LAT data come together with an analysis software named ScienceTools (ST,…

Instrumentation and Methods for Astrophysics · Physics 2013-07-19 D. A. Sanchez , C. Deil

The multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty quantification in PDE models. It combines approximations at different levels of accuracy using a hierarchy of…

Numerical Analysis · Mathematics 2019-11-28 Santiago Badia , Jerrad Hampton , Javier Principe

Polyhedral nanocrystals are building blocks for nanostructured materials that find applications in catalysis and plasmonics. Synthesis efforts and self-assembly experiments have been assisted by computer simulations that predict phase…

Statistical Mechanics · Physics 2021-11-01 Marco Klement , Sangmin Lee , Joshua A. Anderson , Michael Engel

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major…

Chemical Physics · Physics 2026-04-09 Qiming Sun , Matthew R Hermes , Xiaojie Wu , Huanchen Zhai , Xing Zhang , Abdelrahman M. Ahmed , Juan José Aucar , Oliver J. Backhouse , Samragni Banerjee , Peng Bao , Nikolay A. Bogdanov , Kyle Bystrom , Frédéric Chapoton , Ning-Yuan Chen , Ivan Yu. Chernyshov , Helen S. Clifford , Sander Cohen-Janes , Zhi-Hao Cui , Yann D. Damour , Nike Dattani , Linus Bjarne Dittmer , Sebastian Ehlert , Janus Juul Eriksen , Francesco A. Evangelista , Simon A. Ewing , Ardavan Farahvash , Kevin Focke , Yang Gao , Kevin E. Gasperich , Nathan Gillispie , Jonas Greiner , Matthew R. Hennefarth , Jan Hermann , Christopher Hillenbrand , Joonatan Huhtasalo , Basil Ibrahim , Bhavnesh Jangid , Alireza Nejati Javaremi , Andrew J. Jenkins , Yu Jin , Daniel S. King , Derk Pieter Kooi , Jo S. Kurian , Henrik R. Larsson , Bryan Tak Gwong Lau , Seunghoon Lee , Susi Lehtola , Chenghan Li , Hao Li , Jiachen Li , Rui Li , Shuhang Li , Aleksandr O. Lykhin , Ankit Mahajan , Nastasia Mauger , Pablo del Mazo-Sevillano , Jonathan Moussa , Kousuke Nakano , Verena A. Neufeld , Linqing Peng , Hung Q. Pham , Peter Pinski , Pavel Pokhilko , Zhichen Pu , Yubing Qian , Stephen Jon Quiton , Wanja T. Schulze , Thais R. Scott , Aniruddha Seal , James D. Serna , James E. T. Smith , Kori E. Smyser , Terrence Stahl , Chong Sun , Kevin J. Sung , Egor Trushin , Shiv Upadhyay , Ethan A. Vo , Thijs Vogels , Shirong Wang , Tai Wang , Xiao Wang , Xubo Wang , Yuanheng Wang , Mark Williamson , Junjie Yang , Hong-Zhou Ye , Chia-Nan Yeh , Haiyang Yu , Jincheng Yu , Victor Wen-zhe Yu , Chaoqun Zhang , Dayou Zhang , Yichi Zhang , Zijun Zhao , Zehao Zhou , Andrew J. Zhu , Tianyu Zhu , Timothy C. Berkelbach , Laura Gagliardi , Sandeep Sharma , Alexander Sokolov , Garnet Kin-Lic Chan

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…

Monte Carlo simulations of systems of particles such as hard spheres or soft spheres with singular kernels can display around a phase transition prohibitively long convergence times when using traditional Hasting-Metropolis reversible…

Statistical Mechanics · Physics 2023-10-10 Athina Monemvassitis , Arnaud Guillin , Manon Michel

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

In this paper we address the problem of rare-event simulation for heavy-tailed L\'evy processes with infinite activities. We propose a strongly efficient importance sampling algorithm that builds upon the sample path large deviations for…

Probability · Mathematics 2020-07-17 Xingyu Wang , Chang-Han Rhee

GENIE is a new neutrino event generator for the experimental neutrino physics community. The goal of the project is to develop a `canonical' neutrino interaction physics Monte Carlo whose validity extends to all nuclear targets and neutrino…

The AcerMC Monte Carlo generator is dedicated to the generation of Standard Model background processes which were recognised as critical for the searches at LHC, and generation of which was either unavailable or not straightforward so far.…

High Energy Physics - Phenomenology · Physics 2012-11-15 Borut Paul Kersevan , Elzbieta Richter-Was

In this article, we present an event-driven algorithm that generalizes the recent hard-sphere event-chain Monte Carlo method without introducing discretizations in time or in space. A factorization of the Metropolis filter and the concept…

Statistical Mechanics · Physics 2014-02-10 Manon Michel , Sebastian C. Kapfer , Werner Krauth

The shell-model Monte Carlo (SMMC) technique transforms the traditional nuclear shell-model problem into a path-integral over auxiliary fields. We describe below the method and its applications to four physics issues: calculations of sdpf-…

Nuclear Theory · Physics 2009-10-31 D. J. Dean , J. A. White

A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…

chem-ph · Physics 2016-08-15 B. Jönsson , C. Peterson , B. Söderberg

The version 1.51 of the Monte Carlo (MC) program KoralW for all $e^+e^-\to f_1\bar f_2 f_3\bar f_4$ processes is presented. The most important change since the previous version 1.42 is the facility for writing MC events on the mass storage…

High Energy Physics - Phenomenology · Physics 2009-11-07 S. Jadach , W. Placzek , M. Skrzypek , B. F. L. Ward , Z. Was

Calysto Scheme is written in Scheme in Continuation-Passing Style, and converted through a series of correctness-preserving program transformations into Python. It has support for standard Scheme functionality, including call/cc, as well as…

Programming Languages · Computer Science 2023-10-24 Douglas S. Blank , James B. Marshall

Event-chain Monte Carlo (ECMC) accelerates the sampling of hard-sphere systems, and has been generalized to the potentials used in classical molecular simulation. Rather than imposing detailed balance on transition probabilities, the method…

Statistical Mechanics · Physics 2022-08-31 A. C. Maggs , Werner Krauth

This paper presents a seamless algorithm for the application of the multilevel Monte Carlo (MLMC) method to the ensemble transform particle filter (ETPF). The algorithm uses a combination of optimal coupling transformations between coarse…

Numerical Analysis · Mathematics 2017-06-15 Alastair Gregory , Colin Cotter