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Quantum Process Tomography (QPT) is a powerful tool to characterize quantum operations, but it requires considerable resources making it impractical for more than 2-qubit systems. This work proposes an alternative approach that requires…

Quantum Physics · Physics 2022-05-18 Vicente Leyton-Ortega , Tyler Kharazi , Raphael C. Pooser

The quantum dynamics of a low-dimensional system in contact with a large but finite harmonic bath is theoretically investigated by coarse-graining the bath into a reduced set of effective energy states. In this model, the couplings between…

Chemical Physics · Physics 2024-01-29 Loïse Attal , Cyril Falvo , Florent Calvo , Pascal Parneix

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Chemical Physics · Physics 2025-04-01 Cheng Fan , Maodong Li , Sihao Yuan , Zhaoxin Xie , Dechin Chen , Yi Isaac Yang , Yi Qin Gao

Modeling open quantum systems -- quantum systems coupled to a bath -- is of value in condensed matter theory, cavity quantum electrodynamics, nanosciences and biophysics. The real-time simulation of open quantum systems was advanced…

Quantum Physics · Physics 2023-07-14 Hanggai Nuomin , David N. Beratan , Peng Zhang

We develop and test a computational framework to study heat exchange in interacting, nonequilibrium open quantum systems. Our iterative full counting statistics path integral (iFCSPI) approach extends a previously well-established influence…

Statistical Mechanics · Physics 2019-03-27 Michael Kilgour , Bijay Kumar Agarwalla , Dvira Segal

Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…

Statistical Mechanics · Physics 2018-01-17 Karsten Kreis , Kurt Kremer , Raffaello Potestio , Mark E. Tuckerman

This work presents an optimal sampling-based method to solve the real-time motion planning problem in static and dynamic environments, exploiting the Rapid-exploring Random Trees (RRT) algorithm and the Model Predictive Path Integral (MPPI)…

Robotics · Computer Science 2023-01-31 Chuyuan Tao , Hunmin Kim , Naira Hovakimyan

Tree kernels are fundamental tools that have been leveraged in many applications, particularly those based on machine learning for Natural Language Processing tasks. In this paper, we devise a parallel implementation of the sequential…

Computation and Language · Computer Science 2023-05-16 Souad Taouti , Hadda Cherroun , Djelloul Ziadi

Symbolic indefinite integration in Computer Algebra Systems such as Maple involves selecting the most effective algorithm from multiple available methods. Not all methods will succeed for a given problem, and when several do, the results,…

Symbolic Computation · Computer Science 2025-08-11 Rashid Barket , Matthew England , Jürgen Gerhard

Transition Path Theory (TPT) provides a rigorous framework to investigate the dynamics of rare thermally activated transitions. In this theory, a central role is played by the forward committor function q^+(x), which provides the ideal…

Statistical Mechanics · Physics 2018-08-15 G. Bartolucci , S. Orioli , P. Faccioli

The Pauli matrices are 2-by-2 matrices that are very useful in quantum computing. They can be used as elementary gates in quantum circuits but also to decompose any matrix of $\mathbb{C}^{2^n \times 2^n}$ as a linear combination of tensor…

Quantum Physics · Physics 2024-03-19 Océane Koska , Marc Baboulin , Arnaud Gazda

The hierarchical equations of motion (HEOM) method is a numerically exact open quantum system dynamics approach. The method is rooted in an exponential expansion of the bath correlation function, which in essence strategically reshapes a…

Chemical Physics · Physics 2023-06-14 Yaling Ke

Quantum circuit mapping is a crucial process in the quantum circuit compilation pipeline, facilitating the transformation of a logical quantum circuit into a list of instructions directly executable on a target quantum system. Recent…

Quantum Physics · Physics 2024-12-10 Di Yu , Kun Fang

We develop and analyze a method for simulating quantum circuits on classical computers by representing quantum states as rooted tree tensor networks. Our algorithm first determines a suitable, fixed tree structure adapted to the expected…

Quantum Physics · Physics 2023-04-05 Philipp Seitz , Ismael Medina , Esther Cruz , Qunsheng Huang , Christian B. Mendl

While the well-established $GW$ approximation corresponds to a resummation of the direct ring diagrams and is particularly well suited for weakly-correlated systems, the $T$-matrix approximation does sum ladder diagrams up to infinity and…

Chemical Physics · Physics 2022-04-28 Pierre-François Loos , Pina Romaniello

Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…

Quantum Physics · Physics 2024-12-19 Tian Li , Xiao-Yue Xu , Chen Ding , Tian-Ci Tian , Wei-You Liao , Shuo Zhang , He-Liang Huang

Model Predictive Path Integral (MPPI) control is a type of sampling-based model predictive control that simulates thousands of trajectories and uses these trajectories to synthesize optimal controls on-the-fly. In practice, however, MPPI…

Robotics · Computer Science 2023-02-24 Ji Yin , Charles Dawson , Chuchu Fan , Panagiotis Tsiotras

Recently, a novel bootstrap method for numerical calculations in matrix models and quantum mechanical systems is proposed. We apply the method to certain quantum mechanical systems derived from some well-known local toric Calabi-Yau…

High Energy Physics - Theory · Physics 2022-12-08 Bao-ning Du , Min-xin Huang , Pei-xuan Zeng

We present a numerical path-integral iteration scheme for the low dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modelled…

Quantum Physics · Physics 2016-10-12 A. M. Barth , A. Vagov , V. M. Axt

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While…

Nuclear Theory · Physics 2020-07-01 W. N. Polyzou , Ekaterina Nathanson