Browse Articles

Reinforcement learning in 2-D space with varying gravitational fields

Rousseau et al. | Jun 07, 2025

Reinforcement learning in 2-D space with varying gravitational fields
Image credit: NASA

In this study the authors looked at the ability to navigate planes in space between randomly placed planets. They used machine and reinforcement learning to run simulations and found that they were able to identify optimal paths for travel. In the future these techniques may allow for safer travel in unknown spaces.

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Optical anisotropy of crystallized vanillin thin film: the science behind the art

Wang et al. | Jul 09, 2024

Optical anisotropy of crystallized vanillin thin film: the science behind the art
Image credit: The authors

Microscopic beauty is hiding in common kitchen ingredients - even vanillin flavoring can be turned into mesmerizing artwork by crystallizing the vanillin and examining it under a polarizing microscope. Wang and Pang explore this hidden beauty by determining the optimal conditions to grow crystalline vanillin films and by creating computer simulations of chemical interactions between vanillin molecules.

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Machine learning-based enzyme engineering of PETase for improved efficiency in plastic degradation

Gupta et al. | Jan 31, 2023

 Machine learning-based enzyme engineering of PETase for improved efficiency in plastic degradation
Image credit: Markus Spiske

Here, recognizing the recognizing the growing threat of non-biodegradable plastic waste, the authors investigated the ability to use a modified enzyme identified in bacteria to decompose polyethylene terephthalate (PET). They used simulations to screen and identify an optimized enzyme based on machine learning models. Ultimately, they identified a potential mutant PETases capable of decomposing PET with improved thermal stability.

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The sweetened actualities of neural membrane proteins: A computational structural analysis

Chauhan et al. | Nov 03, 2022

The sweetened actualities of neural membrane proteins: A computational structural analysis

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

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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 comparative study on the suitability of virtual labs for school chemistry experiments

Praveen et al. | Aug 22, 2022

A comparative study on the suitability of virtual labs for school chemistry experiments

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".

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Enhancing the quantum efficiency of a silicon solar cell using one dimensional thin film interferometry

Ahuja et al. | May 03, 2024

Enhancing the quantum efficiency of a silicon solar cell using one dimensional thin film interferometry
Image credit: American Public Power Association

Here, recognizing the need to improve the efficiency of the conversion of solar energy to electrical energy, the authors used MATLAB to mathematically simulate a multi-layered thin film with an without an antireflective coating. They found that the use of alternating ZnO-SiO2 multilayers enhanced the transmission of light into the solar cell, increasing its efficiency and reducing the reflectivity of the Si-Air interface.

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