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We implement a bootstrap method that combines stationary state conditions, thermal inequalities, and semidefinite relaxations of matrix logarithm in the ungauged one-matrix quantum mechanics, at finite rank N as well as in the large N…

High Energy Physics - Theory · Physics 2025-03-28 Minjae Cho , Barak Gabai , Joshua Sandor , Xi Yin

Classical systems placed in contact with a thermal bath will inevitably equilibrate to a thermal state at the bath temperature. The same is not generally true for open quantum systems, which place additional conditions on the structure of…

Quantum Physics · Physics 2025-01-20 Nathan M. Myers , Hrushikesh Sable , Vito W. Scarola

We present a new, for plasma physics, highly efficient multilevel Monte Carlo numerical method for simulating Coulomb collisions. The method separates and optimally minimizes the finite-timestep and finite-sampling errors inherent in the…

Plasma Physics · Physics 2015-08-12 M. S. Rosin , L. F. Ricketson , A. M. Dimits , R. E. Caflisch , B. I. Cohen

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

Chemical Physics · Physics 2021-04-15 Lennard Böselt , Moritz Thürlemann , Sereina Riniker

We introduce a method that ensures efficient computation of one-dimensional quantum systems with long-range interactions across all temperatures. Our algorithm operates within a quasi-polynomial runtime for inverse temperatures up to…

Quantum Physics · Physics 2025-05-19 Rakesh Achutha , Donghoon Kim , Yusuke Kimura , Tomotaka Kuwahara

We present a general scheme for the calculation of the Renyi entropy of a subsystem in quantum many-body models that can be efficiently simulated via quantum Monte Carlo. When the simulation is performed at very low temperature, the above…

Strongly Correlated Electrons · Physics 2013-05-30 Stephan Humeniuk , Tommaso Roscilde

The effects of quantum and thermal corrections on the dynamics of a damped nonlinearly kicked harmonic oscillator are studied. This is done via the Quantum Langevin Equation formalism working on a truncated moment expansion of the density…

Quantum Physics · Physics 2007-05-23 M. Rodriguez-Achach , G. Perez , H. Cerdeira

We demonstrate that the multicanonical approach is not restricted to Monte Carlo simulations, but can also be applied to simulation techniques such as molecular dynamics, Langevin, and hybrid Monte Carlo algorithms. The effectiveness of the…

Chemical Physics · Physics 2007-05-23 Ulrich H. E. Hansmann , Yuko Okamoto , Frank Eisenmenger

Computational Fluid Dynamics simulations are crucial in industrial applications but require extensive computational resources, particularly for extreme turbulent regimes. While classical digital approaches remain the standard, quantum…

Quantum Physics · Physics 2025-04-18 Francesco Turro , Alessandra Lignarolo , Daniele Dragoni

The chemical Langevin equation (CLE) is a popular simulation method to probe the stochastic dynamics of chemical systems. The CLE's main disadvantage is its break down in finite time due to the problem of evaluating square roots of negative…

Quantitative Methods · Quantitative Biology 2014-07-22 David Schnoerr , Guido Sanguinetti , Ramon Grima

In the landscape of approaches toward the simulation of Lattice Models with complex action the Complex Langevin (CL) appears as a straightforward method with a simple, well defined setup. Its applicability, however, is controlled by certain…

High Energy Physics - Lattice · Physics 2018-04-18 Gert Aarts , Kirill Boguslavski , Manuel Scherzer , Erhard Seiler , Dénes Sexty , Ion-Olimpiu Stamatescu

Complex Langevin (CL) is a computational method to circumvent the numerical sign problem with applications in finite-density quantum chromodynamics and the real-time dynamics of quantum field theories. It has long been known that, depending…

High Energy Physics - Lattice · Physics 2025-03-24 Kirill Boguslavski , Paul Hotzy , David I. Müller

We present our latest results on the application of the complex Langevin method to one- and two-dimensional QCD. Although the method is stable, it unfortunately converges to an incorrect result when applied as such. After applying…

High Energy Physics - Lattice · Physics 2015-08-24 Jacques Bloch , Johannes Mahr , Sebastian Schmalzbauer

Lattice simulations are an important class of problems in crystalline solids, surface science, alloys, adsorption, absorption, separation, catalysis, to name a few. We describe a fast computational method for performing lattice…

Statistical Mechanics · Physics 2023-07-24 Suhail Haque , Abhijit Chatterjee

In this paper, we propose a cost-reduced method for finite-temperature molecular dynamics on a near-term quantum computer, Quantum Car-Parrinello molecular dynamics (QCPMD). One of the most promising applications of near-term quantum…

Quantum Physics · Physics 2022-12-23 Kohdai Kuroiwa , Takahiro Ohkuma , Hirokazu Sato , Ryosuke Imai

We perform large scale simulations to characterize the transition in quenched QCD. It is shown by a rigorous finite size scaling that the transition is of first order. After this qualitative feature quantitative results are obtained with…

High Energy Physics - Lattice · Physics 2022-04-19 S. Borsanyi , Z. Fodor , D. A. Godzieba , R. Kara , P. Parotto , D. Sexty

The path integral of a quantum system with an exact symmetry can be written as a sum of functional integrals each giving the contribution from quantum states with definite symmetry properties. We propose a strategy to compute each of them,…

High Energy Physics - Lattice · Physics 2010-11-05 Michele Della Morte , Leonardo Giusti

QCD at non-zero chemical potential ($\mu$) for quark number has a complex fermion determinant and thus standard simulation methods for lattice QCD cannot be applied. We therefore simulate this theory using the Complex-Langevin algorithm…

High Energy Physics - Lattice · Physics 2015-10-22 D. K. Sinclair , J. B. Kogut

A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…

Soft Condensed Matter · Physics 2009-11-11 A. Duncan , R. D. Sedgewick

What entanglement is present in naturally occurring physical systems at thermal equilibrium? Most such systems are intractable and it is desirable to study simple but realistic systems which can be solved. An example of such a system is the…

Quantum Physics · Physics 2007-05-23 Tobias J. Osborne , Michael A. Nielsen