• Proceedings of the Korean Vacuum Society Conference
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• 2006.02a
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• pp.148-148
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• 2006

• Bulletin of the Korean Chemical Society
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• v.21 no.5
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• pp.465-470
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• 2000

The conformations and energies of p-tert-butylcalix[4] crown-6-ether (1) and its alkyl ammonium complexes have been simulated by AM1 semi-empirical quantum mechanics and molecular mechanics calculations using a variety of forcefields (MM2, MM+, CVFF). We performed molecular dynamics calculations to simulate the behavior of these coplexes primartily focusing on the three representative conformations (cone, partial cone, 1,3-alternate) of host molecule 1. When we performed AM1 semi-empirical and molecular mechanics calculations, the one conformation was generally found to be most stable for all the employed calculation methods. The primary binding site of host 1 for the recognition of alkyl ammonium guests was confirmed to be the central part of the crown moiety. The complexation enthalpy calculations revealed that the alkyl amonium cations having smaller and linear alkyl group showed the better complexation efficiencies when combined with p-tert-butylcalix[4]crown-6-ether, that is in satisfactory agreement with the experimental results.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.15 no.5
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• pp.3107-3113
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• 2014

We present a quantitative analysis of a dipole antenna and its characteristics from the viewpoint of quantum mechanics. The method makes use of a Maxwell equation used in an existing antenna propagation formula. This includes radiation resistance, input reactance, and antenna efficiency as functions of frequency and antenna length. Particular attention is paid to the Schr$\ddot{o}$odinger equation. We accomplish E-field and H-field analyses of a dipole antenna by combining the Maxwell and Schr$\ddot{o}$odinger wave equations. When comparing the existing Maxwell wave equation with the Schr$\ddot{o}$odinger wave equation, quantum-electric movement is more accurate than using the Maxwell wave equation alone.

• Journal of Engineering Education Research
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• v.24 no.6
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• pp.67-78
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• 2021

This study is an analysis of the life of Max Planck (1858-1947), the in view of engineering literacy education. Some expressions describing Planck include "the father of German science", "the namer of Quantum". Furthermore, he is the scientist who permanently engraved his name in a scientific invariant called the Planck Constant. Planck had already made remarkable scientific achievements in his mid-ages, which became the springboard of quantum mechanics, but he went on to achieve much more in his old age. Between 1910s and 1930s, he was the director of the Kaiser-Wilhelm Gesellschaft, the Berlin Academy, and the German Physics Society, which is the German core research group. In the 1910s, he endured the terrible personal suffering of losing his three children and then succeeded in rebuilding German science in the 1920s in his golden age of 70s. His achievement was great not only as a scientist but also as a science administrator. His life was contradictory in several ways. While fundamentally being a conservative, he initiated a great scientific revolution. While making efforts to preserve traditional values, he was in the center of great many upheavals and destruction. While being the incarnation of honesty, he was also given to extremely delicate political positions. In his long career, Planck lived with all his might as a leader of the German science organizations and permanently left his name on the institute representing Germany. Planck succeeded in his work for the institutional development of science, philosophical understanding of science, and as a role model of exemplary scientist. His long life was accompanied by both achievements and failures, intangible and difficult to judge. Today, as research and development management and scientific leadership have become increasingly important, Planck's life may be a good example of engineering literacy education.

• Journal of the Korea institute for structural maintenance and inspection
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• v.18 no.4
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• pp.1-9
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• 2014

With the development of quantum computer, the development of the quantum-inspired search method applying the features of quantum mechanics and its application to engineering problems have emerged as one of the most interesting research topics. This algorithm stores information by using quantum-bit superposed basically by zero and one and approaches optional values through the quantum-gate operation. In this process, it can easily keep the balance between the two features of exploration and exploitation, and continually accumulates evolutionary information. This makes it differentiated from the existing search methods and estimated as a new algorithm as well. Thus, this study is to suggest a new minimum weight design technique by applying quantum-inspired search method into structural optimization of planar truss. In its mathematical model for optimum design, cost function is minimum weight and constraint function consists of the displacement and stress. To trace the accumulative process and gathering process of evolutionary information, the examples of 10-bar planar truss and 17-bar planar truss are chosen as the numerical examples, and their results are analyzed. The result of the structural optimized design in the numerical examples shows it has better result in minimum weight design, compared to those of the other existing search methods. It is also observed that more accurate optional values can be acquired as the result by accumulating evolutionary information. Besides, terminal condition is easily caught by representing Quantum-bit in probability.

• Journal of Information Processing Systems
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• v.20 no.2
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• pp.273-283
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• 2024

The digital domain has witnessed unprecedented growth, reshaping the way we interact, work, and even perceive reality. The internet has evolved into a vast ecosystem of interconnected virtual worlds, giving birth to the concept of the Metaverse. The Metaverse, often envisioned as a collective virtual shared space, is created by the convergence of virtually enhanced physical reality and interactive digital spaces. Within this Metaverse space, the concept of ownership, identity, and authenticity takes on new dimensions, necessitating innovative solutions to safeguard individual rights. The digital transformation through Metaverse has also brought forth challenges, especially in copyright protection. As the lines between the virtual and physical blur, the traditional notions of ownership and rights are being tested. The Metaverse, with its multitude of user-generated content, poses unique challenges. The primary objective of this research is multifaceted. Firstly, there's a pressing need to understand the strategies employed by non-fungible token (NFT) marketplaces within the Metaverse to strengthen security and prevent copyright violations. As these platforms become centers for digital transactions, ensuring the authenticity and security of each trade becomes paramount. Secondly, the study aims to delve deep into the foundational technologies underpinning NFTs, from the workings of blockchain to the mechanics of smart contracts, to understand how they collectively ensure copyright protection. Thus, in this paper, we propose a quantum based NFT solution that can secure Metaverse and copyright contents in an advanced manner.

• Bulletin of the Korean Chemical Society
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• v.31 no.2
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• pp.457-460
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• 2010

The geometrical structures and energetics of positively doubly charged fullerene dimer $(C_{60})_2{^{2+}}$ conformers were studied using semiempirical PM3 and MNDO, Hartree-Fock (HF), and Hybrid B3LYP density functional methods. The shape of the HOMO-LUMO for the three conformers was also analyzed. The gauche conformer was the most stable of the three conformers. The anti conformer was more stable than the syn conformer.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.797-801
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• 2003

One of the largest challenges for quantum chemistry today is to obtain accurate results for large complex molecular systems, and a variety of approaches have been proposed recently toward this goal. We have developed the ONIOM method, an onion skin-like multi-level method, combining different levels of quantum chemical methods as well as molecular mechanics method. We have been applying the method to many different large systems, including thermochemistry, homogeneous catalysis, stereoselectivity in organic synthesis, solution chemistry, fullerenes and nanochemistry, and biomolecular systems. The method has recently been combined with the polarizable continuum model (ONIOM-PCM), and was also extended for molecular dynamics simulation of solution (ONIOM-XS). In the present article the recent progress in various applications of ONIOM and other electronic structure methods to problems of homogeneous catalyses and nanochemistry is reviewed. Topics include 1. bond energies in large molecular systems, 2. organometallic reactions and homogeneous catalysis, 3. structure, reactivity and bond energies of large organic molecules including fullerenes and nanotubes, and 4. biomolecular structure and enzymatic reaction mechanisms.

• Journal of Mechanical Science and Technology
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• v.18 no.11
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• pp.1996-2008
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• 2004

A seamless analysis of material behavior incorporating complex geometry and crack- tip modeling is one of greatly interesting topics in engineering and computational fracture mechanics fields. However, there are still large gaps between the industrial applications and fundamental academic studies due to a time consuming detailed modeling. In order to resolve this problem, a numerical method to calculate an energy release rate by virtual crack closure technique was proposed in this paper. Both free mesh method and finite element method have been utilized and, thereafter, robust local and global elements for various geometries and boundary conditions were generated. A validity of the proposed method has been demonstrated through a series of fracture mechanics analyses without tedious crack-tip meshing.

• Proceedings of the Korean Vacuum Society Conference
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• 2006.08a
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• pp.135-135
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• 2006