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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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The journey to Proxima Centauri b

Ramaswamy et al. | Apr 01, 2024

The journey to Proxima Centauri b
Image credit: The authors

Someday, rockets from Earth may be launched towards worlds beyond our solar system. But will these rockets be able to reach their destination within a human lifetime? Ramaswamy and Giovinazzi simulate rocket launches to an Earth-like exoplanet to uncover whether it's physically possible to complete the journey within a lifetime.

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Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426

Còdol et al. | Oct 05, 2023

Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426
Image credit: Pixabay

This assessed the hypothesis that stars in wide binary systems are chemically homogeneous because of their shared origin. Abundances of the HIP 34407/HIP 34426 binary were obtained by analyzing high-resolution spectra of the system. Discrepancies found in the system’s elemental abundances might be an indicator of the presence of rocky planets around this star. Thus, the differences found in chemical composition might demonstrate limitations in the assumptions of chemical tagging.

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Different volumes of acetic acid affect the oxygen production of spinach leaves during photosynthesis

Wang et al. | Feb 24, 2023

Different volumes of acetic acid affect the oxygen production of spinach leaves during photosynthesis

The burning of fossil fuels, leading to an increased amount of carbon emissions, is the main cause of acid rain. Acid rain affects the process of photosynthesis, which makes the topic valuable to investigate. Our group utilizes plants to further investigate the relationship between pH value and photosynthesis. In this experiment, our group hypothesized that rain with a lower pH will decrease the rate of photosynthesis, causing less oxygen to be produced in the 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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Examination of the underlying chemical physics of the Mpemba effect in water and other liquids

Khan et al. | Apr 20, 2023

Examination of the underlying chemical physics of the Mpemba effect in water and other liquids
Image credit: D koi

Counterintuitive in nature, the Mpemba effect asserts that hot liquid freezes faster than cold liquid. While noted throughout history by scientific minds like Aristotle, the phenomenon remains in contention with varying hypotheses for the effect proposed alongside the effect’s rise in popularity. Contributing to the research efforts surrounding the Mpemba effect, the authors in this article explore the effect in different liquids ranging in physical properties and intermolecular forces to determine potential parameters attributable to producing the Mpemba effect.

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