This paper reviews some basic principles of Quantum Mechanics, Quantum Computing, and Artificial Intelligence in terms of a specific unifying theme. This theme relates to the hyperbolic or split-complex imaginary numbers and their equivalent matrices, rediscovered by Dirac, and the underlying mathematics of the previously described Q-UEL language based on them. Hyperbolic imaginary numbers h have the property hh = +1: contrast the more familiar i such that ii = -1. Examples of analogous matrices include that for the Hadamard gate as used in quantum computing and the Pauli spin matrices, and all Hermitian matrices of interest in quantum computing can readily be derived from these. They also relate to Dirac dualization, spinor projectors of Quantum Field Theory, the non-wave-like part of quantum theory, collapse of the wave function, and a dualized form of classical probability theory that has advantages in automated reasoning for medicine.
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http://dx.doi.org/10.1016/j.compbiomed.2022.105323 | DOI Listing |
Adv Mater
January 2025
Department of Electronic Engineering, Hanyang University, 222 Wangsimni-ro, Seoul, Seoul, 04763, South Korea.
The pursuit of hardware-based security solutions has highlighted the true random number generator (TRNG). Various physical phenomena, from noise generation to quantum physics complexities, have been explored for random number generation. The arc discharge light-induced TRNG (ALTRNG) is introduced, featuring wavelength-dependent photocurrent generation and arc discharge irradiation.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington, USA.
Projection-based embedding theory (PBET) is used to calculate and assess the challenging spin-crossover energies for a selection of small Fe-containing systems by embedding the metal center into the frozen potential of the ligands. MP2, CCSD, and CCSD(T) are embedded in potentials from the SCAN and rSCAN functionals and compared with the canonical values for the constituent methods and previously reported reference values. Considering the PBET calculations as a correction for the underlying DFT, the embedding calculations are able to provided improvement for most cases.
View Article and Find Full Text PDFMol Inform
February 2025
Graduate School of Science and Technology, Keio University, 3-14-1, Hiyoshi, Kohoku-ku, Yokohama, 223-8522, Japan.
Conventional molecular geometry searches on a potential energy surface (PES) utilize energy gradients from quantum chemical calculations. However, replacing energy calculations with noisy quantum computer measurements generates errors in the energies, which makes geometry optimization using the energy gradient difficult. One gradient-free optimization method that can potentially solve this problem is Bayesian optimization (BO).
View Article and Find Full Text PDFRespirology
January 2025
UCL Respiratory, University College London, London, UK.
Chemphyschem
January 2025
University of Alicante Faculty of Sciences: Universitat d'Alacant Facultad de Ciencies, Physical Chemistry, Carretera San Vicente del Raspeig s/n, 03690, Alicante, SPAIN.
Zr-based metal-organic frameworks (MOFs) are typically employed in heterogeneous catalysis due to their porosity, chemical and thermal stability, and well-defined active sites. Density functional theory (DFT) is the workhorse to compute their electronic structure; however, it becomes very costly when dealing with reaction mechanisms involving large unit cells and vast configurational spaces. Semiempirical quantum mechanical (SQM) methods appear as an alternative approach to simulate such chemical systems at low computational cost, but their feasibility to model catalysis with MOFs is still unexplored.
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