Vibronic coupling in energy transfer dynamics and two-dimensional electronic-vibrational spectra

Kavli Affiliate: Graham R. Fleming | First 5 Authors: Eric A. Arsenault, Addison J. Schile, David T. Limmer, Graham R. Fleming, | Summary: We introduce a heterodimer model in which multiple mechanisms of vibronic coupling and their impact on energy transfer can be explicitly studied. We consider vibronic coupling that arises through either Franck-Condon activity […]


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Reinforcement learning of rare diffusive dynamics

Kavli Affiliate: David T. Limmer | First 5 Authors: Avishek Das, Dominic C. Rose, Juan P. Garrahan, David T. Limmer, | Summary: We present a method to probe rare molecular dynamics trajectories directly using reinforcement learning. We consider trajectories that are conditioned to transition between regions of configuration space in finite time, like those relevant […]


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Continuous measurement of a qudit using dispersively coupled radiation

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: John Steinmetz, Debmalya Das, Irfan Siddiqi, Andrew N. Jordan, | Summary: We analyze the continuous monitoring of a qudit coupled to a cavity using both phase-preserving and phase-sensitive amplification. The quantum trajectories of the system are described by a stochastic master equation, for which we derive the […]


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Spatiotemporal Crossover between Low- and High-Temperature Dynamical Regimes in the Quantum Heisenberg Magnet

Kavli Affiliate: Joel E. Moore | First 5 Authors: Maxime Dupont, Nicholas E. Sherman, Joel E. Moore, , | Summary: The stranglehold of low temperatures on fascinating quantum phenomena in one-dimensional quantum magnets has been challenged recently by the discovery of anomalous spin transport at high temperatures. Whereas both regimes have been investigated separately, no […]


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Distinct chemistries explain decoupling of slip and wettability in atomically smooth aqueous interfaces

Kavli Affiliate: David T. Limmer | First 5 Authors: Anthony R. Poggioli, David T. Limmer, , , | Summary: Despite essentially identical crystallography and equilibrium structuring of water, nanoscopic channels composed of hexagonal boron nitride and graphite exhibit an order-of-magnitude difference in fluid slip. We investigate this difference using molecular dynamics simulations, demonstrating that its […]


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BM-NAS: Bilevel Multimodal Neural Architecture Search

Kavli Affiliate: Xiang Zhang | First 5 Authors: Yihang Yin, Siyu Huang, Xiang Zhang, , | Summary: Deep neural networks (DNNs) have shown superior performances on various multimodal learning problems. However, it often requires huge efforts to adapt DNNs to individual multimodal tasks by manually engineering unimodal features and designing multimodal feature fusion strategies. This […]


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Leveraging Randomized Compiling for the QITE Algorithm

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Jean-Loup Ville, Alexis Morvan, Akel Hashim, Ravi K. Naik, Marie Lu | Summary: The success of the current generation of Noisy Intermediate-Scale Quantum (NISQ) hardware shows that quantum hardware may be able to tackle complex problems even without error correction. One outstanding issue is that of coherent […]


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Origins of anisotropic transport in electrically-switchable antiferromagnet $mathrm{Fe_1/3NbS_2}$

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Sophie F. Weber, Jeffrey B. Neaton, , , | Summary: Recent experiments on the antiferromagnetic intercalated transition metal dichalcogenide $mathrm{Fe_{1/3}NbS_2}$ have demonstrated reversible resistivity switching by application of orthogonal current pulses below its magnetic ordering temperature, making $mathrm{Fe_{1/3}NbS_2}$ promising for spintronics applications. Here, we perform density […]


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Selectivity in yttrium manganese oxide synthesis via local chemical potentials in hyperdimensional phase space

Kavli Affiliate: Kristin A. Persson | First 5 Authors: Paul K. Todd, Matthew J. McDermott, Christopher L. Rom, Adam A. Corrao, Jonathan J. Denney | Summary: In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as […]


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A large deviation theory perspective on nanoscale transport phenomena

Kavli Affiliate: David T. Limmer | First 5 Authors: David T. Limmer, Chloe Y. Gao, Anthony R. Poggioli, , | Summary: Understanding transport processes in complex nanoscale systems, like ionic conductivities in nanofluidic devices or heat conduction in low dimensional solids, poses the problem of examining fluctuations of currents within nonequilibrium steady states and relating […]


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