Browse Articles

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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...

Modeling Energy Produced by Solar Panels

Meister et al. | Jan 13, 2018

Modeling Energy Produced by Solar Panels

In this study, the authors test the effect that the tilt angle of a solar panel has on the amount of energy it generates. This investigation highlights a simple way that people can harvest renewable energy more efficiently and effectively.

Read More...

Differences in Reliability and Predictability of Harvested Energy from Battery-less Intermittently Powered Systems

Sampath et al. | Apr 29, 2020

Differences in Reliability and Predictability of Harvested Energy from Battery-less Intermittently Powered Systems

Solar and radio frequency harvesters serve as a viable alternative energy source to batteries in many cases where the battery cannot be easily replaced. Using specifically designed circuit models, the authors quantify the reliability of different harvested energy sources to identify the most practical and efficient forms of renewable energy.

Read More...

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

Read More...

Building an affordable model wave energy converter using a magnet and a coil

Choy et al. | Jul 05, 2023

Building an affordable model wave energy converter using a magnet and a coil
Image credit: Joshua Smith

Here, seeking to identify a method to locally produce and capture renewable energy in Hawai'i and other island communities, the authors built and tested a small-scale model wave energy converter. They tested various configurations of a floated magnet surrounded by a wire coal, where the motion of the magnet due to a wave results in induction current in the coil. While they identified methods to increase the voltage and current generated, they also found that corrosion results in significant deterioration.

Read More...

Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Aziz et al. | Oct 24, 2023

Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Using the data provided by the University of Twente High School Project on Astrophysics Research with Cosmics (HiSPARC), an analysis of locations for possible high-energy cosmic ray air showers was conducted. An example includes an analysis conducted of the high-energy rain shower recorded in January 2014 and the use of Stellariumâ„¢ to discern its location.

Read More...

Towards an Integrated Solution for Renewable Water and Energy

Chen et al. | Jan 09, 2015

Towards an Integrated Solution for Renewable Water and Energy

An integrated plant that would generate energy from solar power and provide clean water would help solve multiple sustainability issues. The feasibility of such a plant was investigated by looking at the efficacy of several different modules of such a plant on a small scale.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level