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Creators/Authors contains: "Bouchard, L-S"

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  1. Spin polarization in chiral molecules is a magnetic molecular response associated with electron transport and enantioselective bond polarization that occurs even in the absence of an external magnetic field. An unexpected finding by Santos and co-workers reported enantiospecific NMR responses in solid-state cross-polarization (CP) experiments, suggesting a possible additional contribution to the indirect nuclear spin-spin coupling in chiral molecules induced by bond polarization in the presence of spin-orbit coupling. Herein we provide a theoretical treatment for this phenomenon, presenting an effective spin-Hamiltonian for helical molecules like DNA and density functional theory (DFT) results on amino acids that confirm the dependence of J-couplings on the choice of enantiomer. The connection between nuclear spin dynamics and chirality could offer insights for molecular sensing and quantum information sciences. These results establish NMR as a potential tool for chiral discrimination without external agents. 
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  2. Abstract Landslides are notoriously difficult to predict because numerous spatially and temporally varying factors contribute to slope stability. Artificial neural networks (ANN) have been shown to improve prediction accuracy but are largely uninterpretable. Here we introduce an additive ANN optimization framework to assess landslide susceptibility, as well as dataset division and outcome interpretation techniques. We refer to our approach, which features full interpretability, high accuracy, high generalizability and low model complexity, as superposable neural network (SNN) optimization. We validate our approach by training models on landslide inventories from three different easternmost Himalaya regions. Our SNN outperformed physically-based and statistical models and achieved similar performance to state-of-the-art deep neural networks. The SNN models found the product of slope and precipitation and hillslope aspect to be important primary contributors to high landslide susceptibility, which highlights the importance of strong slope-climate couplings, along with microclimates, on landslide occurrences. 
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