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We describe recent progress in the statistical mechanical description of many-body systems via machine learning combined with concepts from density functional theory and many-body simulations. We argue that the neural functional theory by…

Soft Condensed Matter · Physics 2024-04-04 Florian Sammüller , Sophie Hermann , Matthias Schmidt

The context of this work is the design of a software, called MEMSALab, dedicated to the automatic derivation of multiscale models of arrays of micro- and nanosystems. In this domain a model is a partial differential equation. Multiscale…

Symbolic Computation · Computer Science 2015-03-17 Walid Belkhir , Alain Giorgetti , Michel Lenczner

Efficiently simulating quantum circuits on classical computers is a fundamental challenge in quantum computing. This paper presents a novel theoretical approach that achieves substantial speedups over existing simulators for a wide class of…

Quantum Physics · Physics 2026-02-10 Daksh Shami

In this paper we present a simulation environment enhanced with parallel processing which can be used on personal computers, based on a high-level user interface developed on Mathematica\copyright which is connected to C++ code in order to…

Quantum Physics · Physics 2011-03-09 Sandra Díaz-Pier , Salvador E. Venegas-Andraca , José Luis Gómez-Muñoz

A template-based generic programming approach was presented in a previous paper that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded…

Mathematical Software · Computer Science 2012-05-18 Roger P. Pawlowski , Eric T. Phipps , Andrew G. Salinger , Steven J. Owen , Christopher M. Siefert , Matthew L. Staten

In spite of its popularity, it has not been possible to vindicate the conventional wisdom that classical mechanics is a limiting case of quantum mechanics. The purpose of the present paper is to offer an alternative formulation of classical…

Quantum Physics · Physics 2015-02-16 Partha Ghose

As a class of emerging post-CMOS technologies, Field-coupled Nanocomputing (FCN) devices promise computation with tremendously low energy dissipation. Even though ground breaking advances in several physical implementations like Quantum-dot…

Emerging Technologies · Computer Science 2019-05-08 Marcel Walter , Robert Wille , Frank Sill Torres , Daniel Große , Rolf Drechsler

Hybrid systems are increasingly used in critical applications such as medical devices, infrastructure systems, and autonomous vehicles. Lince is an academic tool for specifying and simulating such systems using a C-like language with…

Logic in Computer Science · Computer Science 2025-11-19 Reydel Arrieta , José Proença , Patrick Meumeu Yomsi

Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…

Chemical Physics · Physics 2022-09-09 Shreyas Malpathak , Matthew S. Church , Nandini Ananth

We have proposed going beyond traditional ontologies to use rich semantics implemented in programming languages for modeling. In this paper, we discuss the application of executable semantic models to two examples, first a structured…

Artificial Intelligence · Computer Science 2020-01-01 Robert B. Allen

Quantum computing exhibits the unique capability to natively and efficiently encode various natural phenomena, promising theoretical speedups of several orders of magnitude. However, not all computational tasks can be efficiently executed…

Software Engineering · Computer Science 2025-04-28 Vincenzo De Maio , Ivona Brandic , Ewa Deelman , Jürgen Cito

Can we reduce Quantum Field Theory (QFT) to a quantum computation? Can physics be simulated by a quantum computer? Do we believe that a quantum field is ultimately made of a numerable set of quantum systems that are unitarily interacting? A…

Quantum Physics · Physics 2011-12-21 Giacomo Mauro D'Ariano

PLUMED-GUI is an interactive environment to develop and test complex PLUMED scripts within the Visual Molecular Dynamics (VMD) environment. Computational biophysicists can take advantage of both PLUMED's rich syntax to define collective…

Computational Physics · Physics 2013-12-12 Toni Giorgino

We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…

Statistical Mechanics · Physics 2020-08-05 Lalit Gupta , Tameem Albash , Itay Hen

We study the application of a new method for simulating nonlinear dynamics of many-body spin systems using quantum measurement and feedback [Mu\~noz-Arias et al., Phys. Rev. Lett. 124, 110503 (2020)] to a broad class of many-body models…

Quantum Physics · Physics 2020-08-19 Manuel H. Muñoz-Arias , Ivan H. Deutsch , Poul S. Jessen , Pablo M. Poggi

We employ a nuclear magnetic resonance (NMR) quantum information processor to simulate the ground state of an XXZ spin chain and measure its NMR analog of entanglement, or pseudo-entanglement. The observed pseudo-entanglement for a…

Quantum Physics · Physics 2011-07-26 Jingfu Zhang , Tzu-Chieh Wei , Raymond Laflamme

A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce thermodynamic and structural properties. The motivation is to allow application of classical strong coupling theories and molecular…

Statistical Mechanics · Physics 2013-03-14 James Dufty , Sandipan Dutta

This study introduces a method for simulating quantum systems using electrical networks. Our approach leverages a generalized similarity transformation, which connects different Hamiltonians, enabling well-defined paths for quantum system…

Quantum Physics · Physics 2024-06-13 M. Caruso
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