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- 2024
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Mark
Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
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- Contribution to journal › Article
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Mark
Nonparametric distributions of tensor-valued Lorentzian diffusion spectra for model-free data inversion in multidimensional diffusion MRI
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- Contribution to journal › Article
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Mark
Fisher information for smart sampling in time-domain spectroscopy
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- Contribution to journal › Article
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Mark
Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors
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- Contribution to journal › Article
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Mark
Wave packet dynamics and control in excited states of molecular nitrogen
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- Contribution to journal › Article
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Mark
Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions
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- Contribution to journal › Article
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Mark
Hydrogen bonding in glassy trehalose-water system : Insights from density functional theory and molecular dynamics simulations
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- Contribution to journal › Article
- 2023
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Mark
Tuning perovskite nanocrystal superlattices for superradiance in the presence of disorder
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- Contribution to journal › Article
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Mark
Development of an analytical exponential-6 equation of state through Monte Carlo simulations
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- Contribution to journal › Article
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Mark
Equilibrium melting probabilities of a DNA molecule with a defect : An exact solution of the Poland-Scheraga model
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- Contribution to journal › Article