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Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system () is replaced with the quantum (an)harmonic oscillator () as the fundamental building block of the quantum simulator. The simulation of chemical structure and dynamics can then be achieved by representing or mapping the system Hamiltonians in terms of bosonic operators. In this Perspective, we review recent progress and future potential of using bosonic quantum devices for addressing a wide range of challenging chemical problems, including the calculation of molecular vibronic spectra, the simulation of gas-phase and solution-phase adiabatic and nonadiabatic chemical dynamics, the efficient solution of molecular graph theory problems, and the calculations of electronic structure.
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http://dx.doi.org/10.1021/acs.jctc.4c00544 | DOI Listing |
J Chem Phys
September 2025
Department of Chemistry, University of Rochester, Rochester, New York 14627, USA.
We introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system-bath interaction. These master equations are constructed based on the time-dependent Dirac-Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2025
School of Materials, Sun Yat-sen University, Shenzhen, Guangdong 518107, China.
Simulating non-Markovian open quantum dynamics is crucial for understanding complex quantum systems, yet it poses significant challenges for standard quantum hardware. These challenges stem from the non-Hermitian nature of such dynamics, which results in nonunitary evolution, as well as constraints imposed by limited quantum resources. To address this, we propose a hybrid quantum-classical algorithm designed for simulating dissipative dynamics in systems coupled to non-Markovian environments.
View Article and Find Full Text PDFSci Rep
August 2025
Faculty of Physics, Urmia University of Technology, Urmia, Iran.
This study investigates the thermodynamic behavior of a two-qubit quantum system, where each qubit is coupled to an independent thermal reservoir, either bosonic or fermionic. Using a master equation approach, we analyze both steady-state and time-dependent ergotropy to understand how different reservoir statistics affect work extraction. In bosonic environments, ergotropy consistently declines with increasing temperature due to thermal noise.
View Article and Find Full Text PDFPhys Rev Lett
August 2025
Institute for Basic Science, Center for Theoretical Physics of Complex Systems, Daejeon 34126, Korea.
Equilibrium properties of many-body systems with a large number of degrees of freedom are generally expected to be described by statistical mechanics. Such expectations are closely tied to the observation of thermalization, as manifested through equipartition in time-dependent observables, which takes place both in quantum and classical systems but may look very different in comparison. By studying the dynamics of individual lattice site populations in ultracold bosonic gases, we show that the process of relaxation toward equilibrium in a quantum system can be orders of magnitude faster than in its classical counterpart.
View Article and Find Full Text PDFPhys Rev Lett
August 2025
University of Wisconsin-Madison, Madison, Wisconsin, USA.
The first search for a heavy neutral spin-1 gauge boson (Z^{'}) with nonuniversal fermion couplings produced via vector boson fusion processes and decaying to tau leptons or W bosons is presented. The analysis is performed using LHC data at sqrt[s]=13 TeV, collected from 2016 to 2018 with the CMS experiment and corresponding to an integrated luminosity of 138 fb^{-1}. The data are consistent with the standard model predictions.
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