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The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…

Quantum Physics · Physics 2021-01-06 Pauline J. Ollitrault , Guglielmo Mazzola , Ivano Tavernelli

Attosecond nonlinear Fourier transform (NFT) pump probe spectroscopy is an experimental technique which allows investigation of the electronic excitation, ionization, and unimolecular dissociation processes. The NFT spectroscopy utilizes…

Chemical Physics · Physics 2021-02-11 Sergy Grebenshchikov , Sergio Carbajo

We present a major update to QuSpin, SciPostPhys.2.1.003 -- an open-source Python package for exact diagonalization and quantum dynamics of arbitrary boson, fermion and spin many-body systems, supporting the use of various (user-defined)…

Computational Physics · Physics 2019-08-14 Phillip Weinberg , Marin Bukov

Ultrafast pump-probe spectroscopy is a powerful tool to study the nonequilibrium dynamics in high-Tc cuprate superconductors. The photo-induced quasiparticle (QP) dynamics revealed by pump-probe spectroscopy are sensitive to the near-Fermi…

Superconductivity · Physics 2015-06-22 Wei Li , Chunfeng Zhang , Xiaoyong Wang , Jak Chakhalian , Min Xiao

Nonlinear quantum photonics serves as a cornerstone in photonic quantum technologies, such as universal quantum computing and quantum communications. The emergence of integrated photonics platform not only offers the advantage of…

Quantum Physics · Physics 2024-07-23 Seonghun Kim , Youngbin Kim , Young-Do Yoon , Seongjin Jeon , Woo-Joo Kim , Young-Ik Sohn

Quantum hydrodynamic theory (QHT) can describe some of the characteristic features of quantum electron dynamics that appear in metallic nanostructures, such as spatial nonlocality, electron spill-out, and quantum tunneling. Furthermore,…

Optics · Physics 2021-09-13 Takashi Takeuchi , Kazuhiro Yabana

Given the limitations of current hardware, the theoretical gains promised by quantum computing remain unrealized across practical applications. But the gap between theory and hardware is closing, assisted by developments in quantum…

Quantum Physics · Physics 2023-10-30 Elena R. Henderson , Harsha Nagarajan , Carleton Coffrin

We present version 2 of QuTiP, the Quantum Toolbox in Python. Compared to the preceding version [Comput. Phys. Comm. 183 (2012) 1760], we have introduced numerous new features, enhanced performance, made changes in the Application…

Quantum Physics · Physics 2013-02-04 J. R. Johansson , P. D. Nation , Franco Nori

Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In this contribution, we present a general approach for the…

Quantum Physics · Physics 2024-12-17 Federico Gallina , Matteo Bruschi , Roberto Cacciari , Barbara Fresch

Ultrafast time-resolved optical spectroscopy in high-temperature superconductors enables the direct real-time measurement of non-equilibrium quasiparticle recombination dynamics. In addition, it also gives detailed information about the…

Superconductivity · Physics 2007-05-23 D. Mihailovic , J. Demsar

We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…

Quantum Physics · Physics 2025-04-30 Joseph Andress , Alexander Engel , Yuan Shi , Scott Parker

PyKoopman is a Python package for the data-driven approximation of the Koopman operator associated with a dynamical system. The Koopman operator is a principled linear embedding of nonlinear dynamics and facilitates the prediction,…

Systems and Control · Electrical Eng. & Systems 2023-06-23 Shaowu Pan , Eurika Kaiser , Brian M. de Silva , J. Nathan Kutz , Steven L. Brunton

We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…

Fluid Dynamics · Physics 2024-07-30 Zhen Lu , Yue Yang

A fast and accurate computational scheme for simulating nonlinear dynamic systems is presented. The scheme assumes that the system can be represented by a combination of components of only two different types: first-order low-pass filters…

Quantitative Methods · Quantitative Biology 2008-06-20 J. H. van Hateren

Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…

Quantum Physics · Physics 2025-10-06 Liam P. Flew , Ivan Kassal

The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…

Other Condensed Matter · Physics 2021-05-19 Lukas Alber , Valentino Scalera , Vivek Unikandanunni , Daniel Schick , Stefano Bonetti

Quantum phase estimation is at the heart of most quantum algorithms with exponential speedup. In this letter we demonstrate how to utilize it to compute the dynamical response functions of many-body quantum systems. Specifically, we design…

Quantum Physics · Physics 2021-05-21 Dries Sels , Eugene Demler

We propose a novel data-driven method called QENDy (Quadratic Embedding of Nonlinear Dynamics) that not only allows us to learn quadratic representations of highly nonlinear dynamical systems, but also to identify the governing equations.…

Dynamical Systems · Mathematics 2025-09-25 Stefan Klus , Joel-Pascal Ntwali N'konzi

QwaveMPS is an open-source Python library for simulating one-dimensional quantum many-body waveguide systems using matrix product states (MPS). It provides a user-friendly interface for constructing, evolving, and analyzing quantum states…

Quantum Physics · Physics 2026-02-26 Sofia Arranz Regidor , Matthew Kozma , Stephen Hughes

The description of quantum many-body dynamics is extremely challenging on classical computers, as it can involve many degrees of freedom. On the other hand, the time evolution of quantum states is a natural application for quantum computers…

Quantum Physics · Physics 2025-08-20 Ronen Weiss , Alessandro Baroni , Joseph Carlson , Ionel Stetcu