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Error mitigation of quantum teleportation on IBM quantum computers

Chen et al. | May 15, 2023

Error mitigation of quantum teleportation on IBM quantum computers

Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.

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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize 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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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 Various Liquid Mediums on the Transport of Photonic Energy and its Impact on the Quantum Efficiency of Photovoltaic Cells

Payra et al. | May 05, 2015

The Effect of Various Liquid Mediums on the Transport of Photonic Energy and its Impact on the Quantum Efficiency of Photovoltaic Cells

A photovoltaic cell (PV cell), or solar cell, converts the energy of light into electricity and is the basis for solar power. In order to increase the efficiency of PV cells, the authors in this study used common household items as photon transmissions mediums and measured their effects on the temperature and voltage output of the PV cells.

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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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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.

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The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Li et al. | Aug 18, 2021

The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Stevens Creek, which flows through Santa Clara County in California, provides a crucial habitat for federally designated threatened steelhead trout, with a portion of the trout’s diet being dependent on the presence and abundance of macroinvertebrates that inhabit the creek. In this article, the authors investigate how the water chemistry within the creek was associated with the abundance and diversity of macroinvertebrates, and subsequently the creek’s health. They conduct qualitative analysis of macroinvertebrates and water quality to obtain a general understanding of the health of Stevens Creek.

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