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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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The effect of viscous drag on damped simple harmonic motion

Michael Powell et al. | Sep 14, 2023

The effect of viscous drag on damped simple harmonic motion

Dynamic viscosity is a quantity that describes the magnitude of a fluid’s internal friction or thickness. Traditionally, scientists measure this quantity by either calculating the terminal velocity of a falling sphere or the time a liquid takes to flow through a capillary tube. However, they have yet to conduct much research on finding this quantity through viscous damped simple harmonic motion. The present study hypothesized that the relationship between the dynamic viscosity and the damping coefficient is positively correlated.

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Estimation of Reproduction Number of Influenza in Greece using SIR Model

Skarpeti et al. | Nov 18, 2020

Estimation of Reproduction Number of Influenza in Greece using SIR Model

In this study, we developed an algorithm to estimate the contact rate and the average infectious period of influenza using a Susceptible, Infected, and Recovered (SIR) epidemic model. The parameters in this model were estimated using data on infected Greek individuals collected from the National Public Health Organization. Our model labeled influenza as an epidemic with a basic reproduction value greater than one.

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