Results 1 to 10 of about 8,193,792 (388)
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Chemical Reviews, 2018 The Born-Oppenheimer approximation underlies much of chemical simulation and provides the framework defining the potential energy surfaces that are used for much of our pictorial understanding of chemical phenomena.
Basile F E Curchod, Todd J Martínez
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. [PDF]
Journal of Chemical Physics, 2020 CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems.
T. Kuhne +38 more
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Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] [PDF]
Living journal of computational molecular science, 2022 Enhanced sampling methods for molecular dynamics simulations [Article v1.0] Jérôme Hénin1,2*, Tony Lelièvre3*, Michael R. Shirts4*, Omar Valsson5,6*, Lucie Delemotte7* 1Laboratoire de Biochimie Théorique UPR 9080, CNRS, Paris, France; 2Institut de ...
J'erome H'enin +4 more
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Phylogenetic characterization of canine distemper virus from stray dogs in Kathmandu Valley
Virology Journal, 2023 Canine distemper is a highly contagious, often fatal disease caused by canine distemper virus (CDV) in domestic dogs and wild carnivores. The virus has caused mass epidemics in both wild and captive carnivores of high conservation value such as tigers ...
Prajwol Manandhar +7 more
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Tracing multiple scattering trajectories for deep optical imaging in scattering media
Nature Communications, 2023 Multiple light scattering hampers imaging objects in complex scattering media. Approaches used in real practices mainly aim to filter out multiple scattering obscuring the ballistic waves that travel straight through the scattering medium.
Sungsam Kang +6 more
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Scientific Reports, 2022 Functional buffering that ensures biological robustness is critical for maintaining tissue homeostasis, organismal survival, and evolution of novelty.
Hao-Kuen Lin +5 more
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One Health Outlook, 2020 Background Antimicrobial resistance (AMR) among bacterial pathogens is a fast-growing public health concern. AMR in non-typhoidal Salmonella serovars (NTS) among food animals is of special concern as this may transmit resistant pathogens to humans during
Amy Nelson +7 more
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Nature Communications, 2023 A eukaryotic cell is a microscopic world within which efficient material transport is essential. Yet, how a cell manages to deliver cellular cargos efficiently in a crowded environment remains poorly understood.
Jin-Sung Park +4 more
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Nature Communications, 2023 The authors realize longitudinal deep-brain imaging through an intact mouse skull by constructing a high-speed reflection matrix microscope at 1.3 µm wavelength and developing a computational conjugate adaptive optics algorithm eliminating skull ...
Yongwoo Kwon +7 more
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High-throughput volumetric adaptive optical imaging using compressed time-reversal matrix
Light: Science & Applications, 2022 Compressed time-reversal matrix microscopy was developed for high-throughput volumetric adaptive optical imaging, enabling aberration-free visualization of myelinated axons in a mouse brain with high volumetric resolution.
Hojun Lee +5 more
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