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Grand canonical Monte Carlo (GCMC) simulations are essential for screening metal-organic frameworks (MOFs) for gas adsorption, yet their accuracy is limited by underlying interatomic potentials. Universal machine-learned interatomic…

Materials Science · Physics 2026-02-17 Connor W. Edwards , Fengxu Yang , Konstantin Stracke , Jack D. Evans

In this talk, the program package GOSAM is presented, which can be used for the automated calculation of one-loop amplitudes for multi-particle processes. The integrands are generated in terms of Feynman diagrams and can be reduced by…

High Energy Physics - Phenomenology · Physics 2012-01-19 G. Cullen , N. Greiner , G. Heinrich , G. Luisoni , P. Mastrolia , G. Ossola , T. Reiter , F. Tramontano

We introduce a Generalized Loop Move (GLM) update for Monte Carlo simulations of frustrated Ising models on two-dimensional lattices with bond-sharing plaquettes. The GLM updates are designed to enhance Monte Carlo sampling efficiency when…

Statistical Mechanics · Physics 2012-03-21 Yuan Wang , Hans De Sterck , Roger G. Melko

Hamiltonian Monte Carlo is a widely used algorithm for sampling from posterior distributions of complex Bayesian models. It can efficiently explore high-dimensional parameter spaces guided by simulated Hamiltonian flows. However, the…

Computation · Statistics 2019-04-29 Lingge Li , Andrew Holbrook , Babak Shahbaba , Pierre Baldi

Elastic systems that are spatially heterogeneous in their mechanical response pose special challenges for molecular simulations. Standard methods for sampling thermal fluctuations of a system's size and shape proceed through a series of…

Materials Science · Physics 2015-05-13 Sander Pronk , Phillip L. Geissler

The computation of Feynman integrals is often the bottleneck of multi-loop calculations. We propose and implement a new method to efficiently evaluate such integrals in the physical region through the numerical integration of a suitable set…

High Energy Physics - Phenomenology · Physics 2019-05-01 Manoj K. Mandal , Xiaoran Zhao

The ideas behind the concept of algebraic ("integration-by-parts") algorithms for multiloop calculations are reviewed. For any topology and mass pattern, a finite iterative algebraic procedure is proved to exist which transforms the…

High Energy Physics - Phenomenology · Physics 2011-04-15 Fyodor V. Tkachov

Owing to their favorable scaling with dimensionality, Monte Carlo (MC) methods have become the tool of choice for numerical integration across the quantitative sciences. Almost invariably, efficient MC integration schemes are strictly…

Statistical Mechanics · Physics 2010-01-29 Artur B. Adib

Monte Carlo methods provide detailed and accurate results for radiation transport simulations. Unfortunately, the high computational cost of these methods limits its usage in real-time applications. Moreover, existing computer codes do not…

Computational Physics · Physics 2021-06-21 V. Giménez-Alventosa , V. Giménez Gómez , S. Oliver Gil

Here we propose an algorithm, named generalized orthogonal components regression (GOCRE), to explore the relationship between a categorical outcome and a set of massive variables. A set of orthogonal components are sequentially constructed…

Methodology · Statistics 2013-04-18 Yanzhu Lin , Min Zhang , Dabao Zhang

We present a Monte Carlo approach to soft-gluon resummation at subleading color which can be used to improve existing parton shower algorithms. At the single-emission level, soft-collinear enhancements of the splitting functions are…

High Energy Physics - Phenomenology · Physics 2021-08-11 Stefan Hoeche , Daniel Reichelt

NLOX is a computer program for calculations in high-energy particle physics. It provides fully renormalized scattering matrix elements in the Standard Model of particle physics, up to one-loop accuracy for all possible coupling-power…

High Energy Physics - Phenomenology · Physics 2019-01-01 Steve Honeywell , Seth Quackenbush , Laura Reina , Christian Reuschle

We are reporting on the ongoing effort of the Monte Carlo (MC) modelling of NLO DGLAP QCD evolution in the fully unintegrated form. The resulting parton shower MC is performing on its own the NLO QCD evolution, contrary to all known…

High Energy Physics - Phenomenology · Physics 2010-12-13 S. Jadach , A. Kusina , M. Skrzypek , M. Slawinska

This work demonstrates algorithms to accurately compute solutions to thermal radiation transport problems using a reduced floating-point precision implementation of the Implicit Monte Carlo method. Several techniques falling into the…

Computational Physics · Physics 2025-10-27 Simon Butson , Mathew Cleveland , Alex Long , Todd Palmer

We introduce a strategy to compute EPRL spin foam amplitudes with many internal faces numerically. We work with sl2cfoam-next, the state-of-the-art framework to numerically evaluate spin foam transition amplitudes. We find that uniform…

General Relativity and Quantum Cosmology · Physics 2023-05-11 Pietro Dona , Pietropaolo Frisoni

We show that addition of Metropolis single spin-flips to the Wolff cluster flipping Monte Carlo procedure leads to a dramatic {\bf increase} in performance for the spin-1/2 Ising model. We also show that adding Wolff cluster flipping to the…

Statistical Mechanics · Physics 2009-11-07 J. A. Plascak , Alan M. Ferrenberg , D. P. Landau

Control variates are a variance-reduction technique for Monte Carlo integration. The principle involves approximating the integrand by a function that can be analytically integrated, and integrating using the Monte Carlo method only the…

Graphics · Computer Science 2025-09-22 Daniel Meister , Takahiro Harada

We present the description of HIPPOPO (Hadron Induced Particle Production Off Pomeron Outpour), a computer code aimed at the simulation of hadron production in hadron-hadron collisions at high energies via the multipomeron exchange…

High Energy Physics - Phenomenology · Physics 2007-05-23 S. P. Baranov

We present FMNLO, a framework to combine general-purpose Monte Carlo generators and fragmentation functions (FFs). It is based on a hybrid scheme of phase-space slicing method and local subtraction method, and accurate to next-to-leading…

High Energy Physics - Phenomenology · Physics 2024-01-09 ChongYang Liu , XiaoMin Shen , Bin Zhou , Jun Gao

We present a systematic downfolding many-body approach for extended systems. Many-body calculations operate on a simpler Hamiltonian which retains material-specific properties. The Hamiltonian is systematically improvable and allows one to…

Materials Science · Physics 2015-06-02 Fengjie Ma , Wirawan Purwanto , Shiwei Zhang , Henry Krakauer