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  1. Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state

    Excitation energy transfer (EET) is a key photoinduced process in biological chromophoric assemblies. Here we investigate the factors which can drive EET into efficient ultrafast sub-ps regimes. We demonstrate how a coherent transport of electronic population could facilitate this in water solvated NADH coenzyme and uncover the role of an intermediate dark charge-transfer state. High temporal resolution ultrafast optical spectroscopy gives a 54 ± 11 fs time constant for the EET process. Nonadiabatic quantum dynamical simulations computed through the time-evolution of multidimensional wavepackets suggest that the population transfer is mediated by photoexcited molecular vibrations due to strong coupling between themore » electronic states. The polar aqueous solvent environment leads to the active participation of a dark charge transfer state, accelerating the vibronically coherent EET process in favorably stacked conformers and solvent cavities. Our work demonstrates how the interplay of structural and environmental factors leads to diverse pathways for the EET process in flexible heterodimers and provides general insights relevant for coherent EET processes in stacked multichromophoric aggregates like DNA strands.« less
  2. Reconstruction of interactions in the ProtoDUNE-SP detector with Pandora

    The Pandora Software Development Kit and algorithm libraries provide pattern-recognition logic essential to the reconstruction of particle interactions in liquid argon time projection chamber detectors. Pandora is the primary event reconstruction software used at ProtoDUNE-SP, a prototype for the Deep Underground Neutrino Experiment far detector. ProtoDUNE-SP, located at CERN, is exposed to a charged-particle test beam. This paper gives an overview of the Pandora reconstruction algorithms and how they have been tailored for use at ProtoDUNE-SP. In complex events with numerous cosmic-ray and beam background particles, the simulated reconstruction and identification efficiency for triggered test-beam particles is above 80% formore » the majority of particle type and beam momentum combinations. Specifically, simulated 1 GeV/c charged pions and protons are correctly reconstructed and identified with efficiencies of 86.1$$\pm 0.6$$% and 84.1$$\pm 0.6$$%, respectively. The efficiencies measured for test-beam data are shown to be within 5% of those predicted by the simulation.« less
  3. Highly-parallelized simulation of a pixelated LArTPC on a GPU

    The rapid development of general-purpose computing ongraphics processing units (GPGPU) is allowing the implementationof highly-parallelized Monte Carlo simulation chains for particlephysics experiments. This technique is particularly suitable forthe simulation of a pixelated charge readout for time projectionchambers, given the large number of channels that this technologyemploys. Here we present the first implementation of a fullmicrophysical simulator of a liquid argon time projectionchamber (LArTPC) equipped with light readout and pixelated chargereadout, developed for the DUNE Near Detector. The software isimplemented with an end-to-end set of GPU-optimizedalgorithms. The algorithms have been written in Python andtranslated into CUDA kernels using Numba, a just-in-timemore » compilerfor a subset of Python and NumPy instructions. The GPUimplementation achieves a speed up of four orders of magnitudecompared with the equivalent CPU version. The simulation of thecurrent induced on 10^3 pixels takes around 1 ms on the GPU,compared with approximately 10 s on the CPU. The results of thesimulation are compared against data from a pixel-readout LArTPCprototype.« less
  4. Extracting low energy signals from raw LArTPC waveforms using deep learning techniques — A proof of concept

    Here, we investigate the feasibility of using deep learning techniques, in the form of a one-dimensional convolutional neural network (1D-CNN), for the extraction of signals from the raw waveforms produced by the individual channels of liquid argon time projection chamber (LArTPC) detectors. A minimal generic LArTPC detector model is developed to generate realistic noise and signal waveforms used to train and test the 1D-CNN, and evaluate its performance on low-level signals. We demonstrate that our approach overcomes the inherent shortcomings of traditional cut-based methods by extending sensitivity to signals with ADC values below their imposed thresholds. This approach exhibits greatmore » promise in enhancing the capabilities of future generation neutrino experiments like DUNE to carry out their low-energy neutrino physics programs.« less
  5. Separation of track- and shower-like energy deposits in ProtoDUNE-SP using a convolutional neural network

    Liquid argon time projection chamber detector technology provides high spatial and calorimetric resolutions on the charged particles traversing liquid argon. As a result, the technology has been used in a number of recent neutrino experiments, and is the technology of choice for the Deep Underground Neutrino Experiment (DUNE). In order to perform high precision measurements of neutrinos in the detector, final state particles need to be effectively identified, and their energy accurately reconstructed. This article proposes an algorithm based on a convolutional neural network to perform the classification of energy deposits and reconstructed particles as track-like or arising from electromagneticmore » cascades. Results from testing the algorithm on experimental data from ProtoDUNE-SP, a prototype of the DUNE far detector, are presented. The network identifies track- and shower-like particles, as well as Michel electrons, with high efficiency. The performance of the algorithm is consistent between experimental data and simulation.« less

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"Uboldi, Lorenzo"

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