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In computer simulations, quantum delocalization of atomic nuclei can be modeled making use of the Path Integral (PI) formulation of quantum statistical mechanics. This approach, however, comes with a large computational cost. By restricting…

Statistical Mechanics · Physics 2015-04-13 Karsten Kreis , Mark E. Tuckerman , Davide Donadio , Kurt Kremer , Raffaello Potestio

In this paper, we present a novel general framework grounded in the factor graph theory to solve kinematic and dynamic problems for multi-body systems. Although the motion of multi-body systems is considered to be a well-studied problem and…

Robotics · Computer Science 2021-07-27 José-Luis Blanco-Claraco , Antonio Leanza , Giulio Reina

We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation…

Computational Physics · Physics 2014-10-27 Claas Abert , Lukas Exl , Florian Bruckner , André Drews , Dieter Suess

We describe a simple formalism for generating classes of quantum circuits that are classically efficiently simulatable and show that the efficient simulation of Clifford circuits (Gottesman-Knill theorem) and of matchgate circuits…

Quantum Physics · Physics 2008-12-25 Richard Jozsa

Python is a popular high-level general-purpose programming language also heavily used by the scientific community. It supports a variety of different programming paradigms and is preferred by many for its ease of use. With the vision of…

Programming Languages · Computer Science 2021-09-08 Maximilian A. Köhl

If we admit that quantum mechanics (QM) is universal theory, then QM should contain also some description of classical mechanical systems. The presented text contains description of two different ways how the mathematical description of…

Mathematical Physics · Physics 2020-07-28 Pavel Bóna

This study considers implementations of error correction in a simulation language on a classical computer. Error correction will be necessarily in quantum computing and quantum information. We will give some examples of the implementations…

Quantum Physics · Physics 2008-09-22 Peter Nyman

Our aim here is to illustrate how the benefits of structural corecursion can be found in a broader swath of the programming landscape than previously thought. Beginning from a tutorial on structural corecursion in the total, pure functional…

Programming Languages · Computer Science 2021-03-15 Paul Downen , Zena M. Ariola

In this work, sequence-to-sequence (seq2seq) models, originally developed for language translation, are used to predict the temporal evolution of complex, multi-physics computer simulations. The predictive performance of seq2seq models is…

Machine Learning · Computer Science 2018-11-15 K. D. Humbird , J. L. Peterson , R. G. McClarren

A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce the thermodynamic and structural properties. The objective is to develop a means for exploiting strong coupling classical methods (e.g.,…

Statistical Mechanics · Physics 2015-05-30 James W. Dufty , Sandipan Dutta

Simulating the real-time dynamics of quantum field theories (QFTs) is one of the most promising applications of quantum simulators. Regularizing a bosonic QFT for quantum simulation purposes typically involves a truncation in Hilbert space…

Quantum Physics · Physics 2025-09-01 Gabriele Calliari , Marco Di Liberto , Hannes Pichler , Torsten V. Zache

Recently a new formulation of quantum mechanics has been introduced, based on signed classical field-less particles interacting with an external field by means of only creation and annihilation events. In this paper, we extend this novel…

Quantum Physics · Physics 2017-06-30 Jean Michel Sellier , K. G. Kapanova

Simulating the dynamics of non-equilibrium matter under extreme conditions lies beyond the capabilities of classical computation alone. Remarkable advances in quantum information science and technology are profoundly changing how we…

Nuclear Theory · Physics 2025-04-01 Martin J. Savage

The OmpSs-2 programming model is used in HPC programs to parallelize code and offload code to accelerators. In this work, we extend the offloading capability to quantum computers. We explain the necessary changes to the Clang compiler and…

Emerging Technologies · Computer Science 2025-03-03 Philip Döbler , David Álvarez , Lucas J. Menger , Thomas Lippert , Vicenç Beltran , Manpreet Singh Jattana

We discuss the transition from a quantum to a classical domain for a model where a separation into environment and system is explicitely not given. Utilizing the coarse graining procedure for free quantum fields we also apply the projection…

Quantum Physics · Physics 2007-05-23 A. M. Lisewski

We show how to efficiently simulate a quantum many-body system with tree structure when its entanglement is bounded for any bipartite split along an edge of the tree. This is achieved by expanding the {\em time-evolving block decimation}…

Quantum Physics · Physics 2009-11-11 Yaoyun Shi , Luming Duan , Guifre Vidal

This contribution is concerned with the following issue: can pretrained large language models (LLMs) be refined and customized to the point where they become virtual assistants helping experts with the effective use of a simulation tool? In…

Artificial Intelligence · Computer Science 2025-08-20 Jingquan Wang , Andrew Negrut , Harry Zhang , Khailanii Slaton , Shu Wang , Radu Serban , Jinlong Wu , Dan Negrut

The expansion of a classical Hamilton formalism consisting in adaptation of it to describe the nonequilibrium systems is offered. Expansion is obtained by construction of formalism on the basis of the dynamics equation of the equilibrium…

Classical Physics · Physics 2007-05-23 V. M. Somsikov

We investigate the limits of effectiveness of classical spin simulations for predicting free induction decays (FIDs) measured by solid-state nuclear magnetic resonance (NMR) on systems of quantum nuclear spins. The specific limits…

Quantum Physics · Physics 2015-06-23 Tarek A. Elsayed , Boris V. Fine

We present \texttt{lcg\_plus}, an open-source Python library for the simulation of continuous-variable quantum circuits with both generaldyne and photon-number-resolving detector capabilities. Our framework merges the linear combination of…

Quantum Physics · Physics 2025-08-11 Olga Solodovnikova , Ulrik L. Andersen , Jonas S. Neergaard-Nielsen