Browse Articles

Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

Gangal et al. | Oct 05, 2023

Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

Read More...

The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

Belkin et al. | Apr 19, 2018

The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

In recent years, usage of interactive electronic devices such as computers, smartphones, and tablets has increased dramatically. Many studies have examined the potential adverse effects of excessive usage of such devices on children and adolescents, but the effects on adults are not well understood. In this study, the authors examined the relationship between adult usage of interactive electronic devices and a variety of clinical measures of psychological well-being. They found that according to some metrics, higher usage of interactive electronic devices is associated with several adverse psychological outcomes, suggesting a need for more careful consideration of such usage patterns in clinical settings.

Read More...

Large Language Models are Good Translators

Zeng et al. | Oct 16, 2024

Large Language Models are Good Translators

Machine translation remains a challenging area in artificial intelligence, with neural machine translation (NMT) making significant strides over the past decade but still facing hurdles, particularly in translation quality due to the reliance on expensive bilingual training data. This study explores whether large language models (LLMs), like GPT-4, can be effectively adapted for translation tasks and outperform traditional NMT systems.

Read More...

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.

Read More...

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.

Read More...

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.

Read More...

A Cloud-Enabled Communication Strategy for Wildfire Alerts

Vinaithirthan et al. | Jul 19, 2020

A Cloud-Enabled Communication Strategy for Wildfire Alerts

The traditional alert system in California consists of Wireless Emergency Alerts (WEAs), which lack location specificity, and sign-up-based technology which is limited by the number of sign ups. Those who do not have phones or have a silence option on their devices are most at risk from the current alert system. Here the authors developed cloud-enabled crisis connection for disaster alerts (CRISIS-CONNECT) to mitigate problems associated with the current alert system.

Read More...