Lower temperature leads to a higher probability of visiting low-energy states. This intuitive belief underlies most physics-inspired strategies for addressing hard optimization problems. For instance, the popular simulated annealing (SA) dynamics is expected to approach a ground state if the temperature is lowered appropriately. Here, we demonstrate that this belief is not always justified. Specifically, we employ the cavity method to analyze the minimum strong defensive alliance problem and discover a bifurcation in the solution space, induced by an inflection point in the entropy-energy profile. While easily accessible configurations are associated with the lower-free-energy branch, the low-energy configurations are associated with the higher-free-energy branch within the same temperature range. There is a discontinuous phase transition between the high-energy configurations and the ground states, which generally cannot be followed by SA. We introduce an energy-clamping strategy to obtain superior solutions by following the higher-free-energy branch, overcoming the limitations of SA.
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http://dx.doi.org/10.1103/PhysRevLett.121.210602 | DOI Listing |
Nat Commun
December 2024
Department of Mechanical and Aerospace Engineering, University of California, Irvine, Irvine, CA, USA.
Tightly bound electron-hole pairs (excitons) hosted in atomically-thin semiconductors have emerged as prospective elements in optoelectronic devices for ultrafast and secured information transfer. The controlled exciton transport in such excitonic devices requires manipulating potential energy gradient of charge-neutral excitons, while electrical gating or nanoscale straining have shown limited efficiency of exciton transport at room temperature. Here, we report strain gradient induced exciton transport in monolayer tungsten diselenide (WSe) across microns at room temperature via steady-state pump-probe measurement.
View Article and Find Full Text PDFJACS Au
December 2024
Faculty of Synthetic Biology, Shenzhen University of Advanced Technology, Shenzhen 518055, China.
The origin of life on Earth remains one of the most perplexing challenges in biochemistry. While numerous bottom-up experiments under prebiotic conditions have provided valuable insights into the spontaneous chemical genesis of life, there remains a significant gap in the theoretical understanding of the complex reaction processes involved. In this study, we propose a novel approach using a roto-translationally invariant potential (RTIP) formulated with pristine Cartesian coordinates to facilitate the simulation of chemical reactions.
View Article and Find Full Text PDFJACS Au
December 2024
Department of Chemistry, University of Connecticut, Storrs, Connecticut 06269-3060, United States.
Red-light absorbing photoredox catalysts offer potential advantages for large-scale reactions, expanding the range of usable substrates and facilitating bio-orthogonal applications. While many red-light absorbing/emitting fluorophores have been developed recently, functional red-light absorbing photoredox catalysts are scarce. Many photoredox catalysts rely on long-lived triplet excited states (triplets), which can efficiently engage in single electron transfer (SET) reactions with substrates.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
School of Chemical Engineering, The University of Queensland, St Lucia, QLD 4072, Australia.
The development of efficient artificial photosynthesis systems is crucial for sustainable chemical production, as they mimic natural processes to convert solar energy into chemical products, thereby addressing both energy and environmental challenges. The main bottlenecks in current research include fabricating highly selective, stable, and scalable catalysts, as well as effectively harnessing the full spectrum of light, particularly the low-energy, long-wavelength portion. Herein, we report a novel composite photocatalyst system based on lead halide perovskites embedded in functionalized MOF glass.
View Article and Find Full Text PDFSci Rep
December 2024
School of Physics and Astronomy, University of Minnesota, Minneapolis, MN, 55455, USA.
Quantum computers promise a qualitative speedup in solving a broad spectrum of practical optimization problems. The latter can be mapped onto the task of finding low-energy states of spin glasses, which is known to be exceedingly difficult. Using D-Wave's 5000-qubit quantum processor, we demonstrate that a recently proposed iterative cyclic quantum annealing algorithm can find deep low-energy states in record time.
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