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Entropy as a Design Principle in the Photosystem II Supercomplex
Johanna L. Hall, Shiun-Jr Yang, David T. Limmer +1
Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent formation of reacti…
Transition Path and Interface Sampling of Stochastic Schrödinger Dynamics
Robson Christie, Peter G. Bolhuis, David T. Limmer
We study rare transitions in Markovian open quantum systems driven with Gaussian noise, applying transition path and interface sampling methods to trajectories generated by stochas…
Modeling the Superlattice Phase Diagram of Transition Metal Intercalation in Bilayer 2H-TaS
Isaac M. Craig, B. Junsuh Kim, David T. Limmer +2
Van der Waals hosts intercalated with transition metal (TM) ions exhibit a range of magnetic properties strongly influenced by the structural order of the intercalants. However, pr…
Non-Monotonic Size-Dependent Exciton Radiative Lifetime in CsPbBr3 Nanocrystals
Abdullah S. Abbas, Daniel Chabeda, Daniel Weinberg +3
Lead-halide perovskite nanocrystals have recently emerged as desirable optical materials for applications such as coherent quantum light emitters and solid-state laser cooling due…
Theoretical insights into the role of lattice fluctuations on the excited behavior of lead halide perovskites
Yoonjae Park, Rohit Rana, Daniel Chabeda +2
Lead halide perovskites have been extensively studied as a class of materials with unique optoelectronic properties. A fundamental aspect that governs optical and electronic behavi…
Adsorption of Guanidinium Cations to the Air-Water Interface
Franky Bernal, Amro Dodin, Constantine Kyprianou +2
Combining Deep-UV second harmonic generation spectroscopy with molecular simulations, we confirm and quantify the specific adsorption of guanidinium cations to the air-water interf…