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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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A land use regression model to predict emissions from oil and gas production using machine learning

Cao et al. | Mar 24, 2023

A land use regression model to predict emissions from oil and gas production using machine learning

Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO2), volatile organic compounds (VOCs), and ozone (O3) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO2, NOx, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.

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Population Forecasting by Population Growth Models based on MATLAB Simulation

Li et al. | Aug 31, 2020

Population Forecasting by Population Growth Models based on MATLAB Simulation

In this work, the authors investigate the accuracy with which two different population growth models can predict population growth over time. They apply the Malthusian law or Logistic law to US population from 1951 until 2019. To assess how closely the growth model fits actual population data, a least-squared curve fit was applied and revealed that the Logistic law of population growth resulted in smaller sum of squared residuals. These findings are important for ensuring optimal population growth models are implemented to data as population forecasting affects a country's economic and social structure.

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