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In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.

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.

In quantum computing, noise disrupts experimental results, particularly affecting the quantum teleportation algorithm used to transfer qubit states. This study explores how noise impacts this algorithm across different platforms—a perfect simulation, a noisy simulation, and real hardware.

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.

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.

The advent of quantum computing will pose a substantial threat to the security of classical cryptographic methods, which could become vulnerable to quantum-based attacks. In response to this impending challenge, the field of post-quantum cryptography has emerged, aiming to develop algorithms that can withstand the computational power of quantum computers. This study addressed the pressing concern of classical cryptographic methods becoming vulnerable to quantum-based attacks due to the rise of quantum computing. The emergence of post-quantum cryptography has led to the development of new resistant algorithms. Our research focused on four quantum-resistant algorithms endorsed by America’s National Institute of Standards and Technology (NIST) in 2022: CRYSTALS-Kyber, CRYSTALS-Dilithium, FALCON, and SPHINCS+. This study evaluated the security, performance, and comparative attributes of the four algorithms, considering factors such as key size, encryption/decryption speed, and complexity. Comparative analyses against each other and existing quantum-resistant algorithms provided insights into the strengths and weaknesses of each program. This research explored potential applications and future directions in the realm of quantum-resistant cryptography. Our findings concluded that the NIST algorithms were substantially more effective and efficient compared to classical cryptographic algorithms. Ultimately, this work underscored the need to adapt cryptographic techniques in the face of advancing quantum computing capabilities, offering valuable insights for researchers and practitioners in the field. Implementing NIST-endorsed quantum-resistant algorithms substantially reduced the vulnerability of cryptographic systems to quantum-based attacks compared to classical cryptographic methods.

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.

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.

The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program

Recent research confirms that climate change, driven by CO2 emissions from burning fossil fuels, poses a significant threat to humanity. In response, authors explore methods to remove CO2 from the atmosphere, including breaking its molecular bonds through high-speed collisions.