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A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…

Materials Science · Physics 2015-05-19 Liangzhe Zhang , Remi Dingreville , Timothy Bartel , Mark T. Lusk

We compare the performance of the Kramers Equation Monte Carlo (KMC) Algorithm with that of the Hybrid Monte Carlo (HMC) algorithm for numerical simulations with dynamical Kogut-Susskind fermions. Using the lattice Gross-Neveu model in 2…

High Energy Physics - Lattice · Physics 2009-10-31 S. Basak , Asit K. De

We investigate the attractive Fermi polaron problem in two dimensions using non-perturbative Monte Carlo simulations. We introduce a new Monte Carlo algorithm called the impurity lattice Monte Carlo method. This algorithm samples the path…

Quantum Gases · Physics 2015-10-29 Shahin Bour , Dean Lee , H. -W. Hammer , Ulf-G. Meißner

Hamiltonian Monte Carlo (HMC) exploits Hamiltonian dynamics to construct efficient proposals for Markov chain Monte Carlo (MCMC). In this paper, we present a generalization of HMC which exploits \textit{non-canonical} Hamiltonian dynamics.…

Machine Learning · Statistics 2017-08-22 Nilesh Tripuraneni , Mark Rowland , Zoubin Ghahramani , Richard Turner

Hamiltonian Monte Carlo (or hybrid Monte Carlo) with partial momentum refreshment explores the state space more slowly than it otherwise would due to the momentum reversals which occur on proposal rejection. These cause trajectories to…

Data Analysis, Statistics and Probability · Physics 2012-05-10 Jascha Sohl-Dickstein

The Direct Simulation Monte Carlo (DSMC) method is widely employed for simulating rarefied nonequilibrium gas flows. With advances in aerospace engineering and micro/nano-scale technologies, gas flows exhibit the coexistence of rarefied and…

Computational Physics · Physics 2025-07-01 Hao Jin , Sha Liu , Sirui Yang , Junzhe Cao , Congshan Zhuo , Chengwen Zhong

We test the scaling behaviour of Wilson, hypercube, maximally twisted mass and overlap fermion actions in dynamical simulations of the 2-dimensional massive Schwinger model. We also present possibilities to simulate overlap fermions…

High Energy Physics - Lattice · Physics 2007-05-23 Nils Christian , Karl Jansen , Kei-ichi Nagai , Beatrix Pollakowski

We discuss the impact of various improvements on simulations of dynamical overlap fermions using the Hybrid Monte Carlo algorithm. We focus on the usage of fat links and multiple pseudo-fermion fields.

High Energy Physics - Lattice · Physics 2011-07-18 Thomas DeGrand , Stefan Schaefer

Histogram Monte Carlo simulation is used to investigate effects of biquadratic exchange $J_{2}$ on phase transitions of a 3D classical XY antiferromagnet with frustration induced by the antiferromagnetic exchange $J_{1}$ and the stacked…

Statistical Mechanics · Physics 2013-01-10 M. Žukovič , T. Idogaki , K. Takeda

The 2-dimensional U(1) gauge-Higgs model with a topological term is a simple example of a lattice field theory where the complex action problem comes from the topological term. We show that the model can be exactly rewritten in terms of…

High Energy Physics - Lattice · Physics 2015-12-23 Christof Gattringer , Thomas Kloiber , Michael Müller-Preussker

We show how a Monte Carlo method for generating self-avoiding walks on lattice geometries which employs a binary-tree data structure can be adapted for hard-sphere polymers with continuous degrees of freedom. Data suggests that the time per…

Statistical Mechanics · Physics 2023-12-01 Stefan Schnabel , Wolfhard Janke

We study the phase diagram of the double exchange model, with antiferromagnetic interactions, in a cubic lattice both at zero and at finite temperature. There is a rich variety of magnetic phases, combined with regions where phase…

Strongly Correlated Electrons · Physics 2009-11-07 J. L. Alonso , J. A. Capitan , L. A. Fernandez , F. Guinea , V. Martin-Mayor

Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method for two-dimensional (2D) magnets whose effective Hamiltonians…

Materials Science · Physics 2023-12-08 Haichang Lu , Tai Yang , Zhimei Sun , John Robertson , Weisheng Zhao

We use the single-cluster Monte Carlo update algorithm to simulate the three-dimensional classical Heisenberg model in the critical region on simple cubic lattices of size $L^3$ with $L=12, 16, 20, 24, 32, 40$, and $48$. By means of…

High Energy Physics - Lattice · Physics 2009-10-22 Christian Holm , Wolfhard Janke

We investigate the algorithms for dynamical overlap fermions aiming at improving the performance for large-scale simulations. We look for the best combination of Hybrid Monte Carlo options and iterative quark solvers with respect to the…

The probability of accepting a candidate move in the hybrid Monte Carlo algorithm can be increased by considering a transition to be between windows of several states at the beginning and end of the trajectory, with a state within the…

High Energy Physics - Lattice · Physics 2008-02-03 R. M. Neal

A new algorithm is developed allowing the Monte Carlo study of a 1 + 1 dimensional theory in real time. The main algorithmic development is to avoid the explicit calculation of the Jacobian matrix and its determinant in the update process.…

High Energy Physics - Lattice · Physics 2017-06-14 Andrei Alexandru , Gokce Basar , Paulo F. Bedaque , Gregory W. Ridgway

We derive non-asymptotic quantitative bounds for convergence to equilibrium of the exact preconditioned Hamiltonian Monte Carlo algorithm (pHMC) on a Hilbert space. As a consequence, explicit and dimension-free bounds for pHMC applied to…

Probability · Mathematics 2021-02-26 Nawaf Bou-Rabee , Andreas Eberle

Numerically exact continuous-time Quantum Monte Carlo algorithm for finite fermionic systems with non-local interactions is proposed. The scheme is particularly applicable for general multi-band time-dependent correlations since it does not…

Strongly Correlated Electrons · Physics 2009-11-10 A. N. Rubtsov , A. I. Lichtenstein

Despite its many advantages, the sensible application of the Hybrid Monte Carlo (HMC) method is often hindered by the presence of large - or even infinite - potential barriers. These potential barriers partition the configuration space into…

Strongly Correlated Electrons · Physics 2025-07-23 Finn Temmen , Evan Berkowitz , Anthony Kennedy , Thomas Luu , Johann Ostmeyer , Xinhao Yu