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The hierarchical equations of motion (HEOM) provide a numerically exact approach for computing the reduced dynamics of a quantum system linearly coupled to a bath. We have found that HEOM contains temperature-dependent instabilities that…

Chemical Physics · Physics 2019-05-13 Ian S. Dunn , Roel Tempelaar , David R. Reichman

We study truncations of hierarchical equations of motion (HEOM) for finite-dimensional open quantum systems. We prove that for finite-dimensional approximations constructed with a Schur-complement type of terminator, the spectrum converges…

Quantum Physics · Physics 2026-04-27 Vasilii Vadimov

We model, simulate, and analyze the intramolecular modes of liquid H2O and D2O to elucidate how energy excitation, relaxation, and vibrational dephasing interplay through anharmonic mode-mode coupling. Our analysis employs two-dimensional…

Chemical Physics · Physics 2026-03-20 Kwanghee Park , Ryotaro Hoshino , Yoshitaka Tanimura

The family of Expectation-Maximization (EM) algorithms provides a general approach to fitting flexible models for large and complex data. The expectation (E) step of EM-type algorithms is time-consuming in massive data applications because…

Computation · Statistics 2018-06-21 Sanvesh Srivastava , Glen DePalma , Chuanhai Liu

We investigate strategies for simulating open quantum systems coupled to dissipative baths by comparing explicit wave function-based discretization [via multi-layer multi-configuration time-dependent Hartree (ML-MCTDH)] and the implicit…

Quantum Physics · Physics 2026-01-21 Xinxian Chen , Ignacio Franco

Homomorphic encryption (HE) allows direct computations on encrypted data. Despite numerous research efforts, the practicality of HE schemes remains to be demonstrated. In this regard, the enormous size of ciphertexts involved in HE…

Cryptography and Security · Computer Science 2020-10-27 Dayane Reis , Jonathan Takeshita , Taeho Jung , Michael Niemier , Xiaobo Sharon Hu

In the study of open quantum systems, one typically obtains the decoherence dynamics by solving a master equation. The master equation is derived using knowledge of some basic properties of the system, the environment and their interaction:…

Quantum Physics · Physics 2011-06-22 Hefeng Wang , S. Ashhab , Franco Nori

Recent advances in operator learning have produced two distinct approaches for solving partial differential equations (PDEs): attention-based methods offering point-level adaptability but lacking spectral constraints, and spectral-based…

Machine Learning · Computer Science 2025-06-24 Xihang Yue , Yi Yang , Linchao Zhu

The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…

Quantum Physics · Physics 2023-08-01 Meng Xu , Vasilii Vadimov , Malte Krug , J. T. Stockburger , J. Ankerhold

Efficient simulations of the dynamics of open systems is of wide importance for quantum science and tech-nology. Here, we introduce a generalization of the transfer-tensor, or discrete-time memory kernel, formalism to multi-time measurement…

Quantum Physics · Physics 2020-11-09 Mathias R. Jørgensen , Felix A. Pollock

We provide algorithms for efficiently addressing quantum memory in parallel. These imply that the standard circuit model can be simulated with low overhead by the more realistic model of a distributed quantum computer. As a result, the…

Exact numerical simulations of dynamics of open quantum systems often require immense computational resources. We demonstrate that a deep artificial neural network comprised of convolutional layers is a powerful tool for predicting…

Computational Physics · Physics 2020-12-22 Luis E. Herrera Rodriguez , Alexei A. Kananenka

Engineering and harnessing coherent excitonic transport in organic nanostructures has recently been suggested as a promising way towards improving man-made light harvesting materials. However, realising and testing the dissipative…

Quantum Physics · Physics 2018-06-19 A. W. Chin , E. Mangaud , O. Atabek , M. Desouter-Lecomte

Molecular-dynamics algorithms for systems of particles interacting through discrete or "hard" potentials are fundamentally different to the methods for continuous or "soft" potential systems. Although many software packages have been…

Computational Physics · Physics 2013-09-30 M. N. Bannerman , R. Sargant , L. Lue

We derive the formula of energy flux for the hierarchical equations of motion (HEOM) method with the help of stochastic decoupling technique. The resulting expression is a combination of the terms in the first two layers of the hierarchy.…

Statistical Mechanics · Physics 2019-04-30 Yun Zhou , Tie-Jun Xiao , Jun Cao , Yun-An Yan

Quantum memory plays a pivotal role in the construction of quantum repeaters, which are essential devices for establishing long-distance quantum communications and large-scale quantum networks. To boost information capacity and signal…

We develop and experimentally demonstrate a methodology for a full molecular frame quantum tomography (MFQT) of dynamical polyatomic systems. We exemplify this approach through the complete characterization of an electronically…

Stochastic modelling is an essential component of the quantitative sciences, with hidden Markov models (HMMs) often playing a central role. Concurrently, the rise of quantum technologies promises a host of advantages in computational…

Quantum Physics · Physics 2021-06-22 Thomas J. Elliott

The discovery and optimization of high-energy materials (HEMs) are constrained by the prohibitive computational expense and prolonged development cycles inherent in conventional approaches. In this work, we develop a general neural network…

Materials Science · Physics 2025-03-05 Mingjie Wen , Jiahe Han , Wenjuan Li , Xiaoya Chang , Qingzhao Chu , Dongping Chen

In this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics. The hybrid ROM framework is based on…

Computational Physics · Physics 2020-04-22 Suraj Pawar , Shady E. Ahmed , Omer San , Adil Rasheed
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