We introduce a Langevin unravelling of the density matrix evolution of an open quantum system over matrix product states, which we term the time-dependent variational principle-Langevin equation. This allows the study of entanglement dynamics as a function of both temperature and coupling to the environment. As the strength of coupling to and temperature of the environment is increased, we find a transition where the entanglement of the individual trajectories saturates, permitting a classical simulation of the system for all times. This is the Hamiltonian open system counterpart of the saturation in entanglement found in random circuits with projective or weak measurements. If a system is open, there is a limit to the advantage in simulating its behaviour on a quantum computer, even when that evolution harbours important quantum effects. Moreover, if a quantum simulator is in this phase, it cannot simulate with quantum advantage.
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http://dx.doi.org/10.1038/s41598-023-35336-9 | DOI Listing |
Nat Mater
January 2025
School of Chemistry, Beihang University, Beijing, China.
The rational design of non-fullerene acceptors (NFAs) with both high crystallinity and photoluminescence quantum yield (PLQY) is of crucial importance for achieving high-efficiency and low-energy-loss organic solar cells (OSCs). However, increasing the crystallinity of an NFA tends to decrease its PLQY, which results in a high non-radiative energy loss in OSCs. Here we demonstrate that the crystallinity and PLQY of NFAs can be fine-tuned by asymmetrically adapting the branching position of alkyl chains on the thiophene unit of the L8-BO acceptor.
View Article and Find Full Text PDFSci Rep
January 2025
School of Mathematics and Physics, University of Surrey, GU2 7XH, Guildford, United Kingdom.
Deriving an arrow of time from time-reversal symmetric microscopic dynamics is a fundamental open problem in many areas of physics, ranging from cosmology, to particle physics, to thermodynamics and statistical mechanics. Here we focus on the derivation of the arrow of time in open quantum systems and study precisely how time-reversal symmetry is broken. This derivation involves the Markov approximation applied to a system interacting with an infinite heat bath.
View Article and Find Full Text PDFPhilos Trans A Math Phys Eng Sci
January 2025
ICAR, National Research Council (CNR), Palermo, Italy.
Quantum computing is a branch of computer science derived from the fundamental laws of quantum mechanics, such as state superposition, multi-value logic and destructive measure. An open challenge in itself is to re-think in quantum terms classic problems and solving techniques. Another nature-inspired field is the development of swarm-based robotic applications, where the challenge is catching the fundamental laws governing swarm dynamics, such as pattern formation and target reaching.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Chemistry, College of Science, University of Nevada, Reno, Nevada 89557, United States.
We discuss the goals and the need for quantum information science (QIS) in chemistry. It is important to identify concretely how QIS matters to chemistry, and we articulate some of the most pressing and interesting research questions at the interface between chemistry and QIS, that is, "chemistry-centric" research questions relevant to QIS. We propose in what ways and in what new directions the field should innovate, in particular where a chemical perspective is essential.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Uppsala University, Department of Physics and Astronomy, Box 516, SE-751 20 Uppsala, Sweden.
The Landau-Lifshitz-Gilbert (LLG) and Landau-Lifshitz (LL) equations play an essential role for describing the dynamics of magnetization in solids. While a quantum analog of the LL dynamics has been proposed in [Phys. Rev.
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