• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2006년도 제30회 학술논문발표회 초록집
• /
• pp.148-148
• /
• 2006

• Bulletin of the Korean Chemical Society
• /
• 제21권5호
• /
• pp.465-470
• /
• 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.

• 한국산학기술학회논문지
• /
• 제15권5호
• /
• pp.3107-3113
• /
• 2014

본 논문은 양자역학 관점으로 본 다이폴 안테나의 정량적 분석과 그것의 특성에 관한 논문이다. 분석 방법으로 현존하는 안테나 전파 방정식에 이용되는 맥스웰 방정식을 사용한다. 이는 안테나의 길이와 주파수에 관한 함수로, 방사저항, 입력 리액턴스, 안테나 효율을 포함한다. 본 논문의 주요 관심사는 슈뢰딩거 방정식이다. 또한 본 논문은 맥스웰과 슈뢰딩거 방정식을 결합하여 다이폴 안테나의 전계와 자계를 해석한다. 현존하는 맥스웰 방정식과 슈뢰딩거 방정식을 비교함으로써, 단일 맥스웰 방정식을 썼을 때 보다 양자-전기 이동의 정확성이 향상됨을 보인다.

• 공학교육연구
• /
• 제24권6호
• /
• pp.67-78
• /
• 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.

• 한국구조물진단유지관리공학회 논문집
• /
• 제18권4호
• /
• pp.1-9
• /
• 2014

최근 양자컴퓨터의 개발과 더불어 양자역학의 특성을 응용한 양자기반 탐색기법의 개발과 공학 문제에의 적용은 매우 흥미로운 연구주제 중 하나로 부각되고 있다. 이 알고리즘은 기본적으로 0과 1이 중첩되어진 양자비트를 이용하여 정보가 저장되고, 양자게이트 연산을 통해 해에 접근하게 된다. 이 과정에서 알고리즘은 탐사와 개척 두 가지 탐색 특성간의 균형이 자연스럽게 유지되며, 진화정보가 계속 누적된다는 장점으로 기존의 탐색법과 차별되어 새로운 알고리즘으로 평가되었다. 본 연구에서는 이와 같은 양자기반 진화알고리즘을 평면 트러스의 구조최적화에 적용하여 최소중량설계 기법을 제안하였다. 최적화 수리모형에서 비용함수는 최소중량이며, 제약함수는 변위와 응력에 관한 함수로 구성하였다. 진화정보의 누적과 수렴 과정을 알아보기 위해서 10부재 평면 트러스와 17부재 평면트러스 예제를 수치예제로 채택하여 결과를 분석하였다. 수치예제의 구조최적설계 결과에서 볼 때, 기존의 고전적 탐색기법의 연구결과와 비교해서 더 나은 최소중량 설계의 결과를 얻을 수 있었으며, 진화정보의 누적된 결과로 해의 정밀도를 관찰할 수 있었다. 또한 누적된 진화정보인 양자비트의 확률적 표현은 종료시점을 쉽게 판단할 수 있다.

• Journal of Information Processing Systems
• /
• 제20권2호
• /
• pp.273-283
• /
• 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
• /
• 제31권2호
• /
• pp.457-460
• /
• 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
• /
• 제24권6호
• /
• pp.797-801
• /
• 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
• /
• 제18권11호
• /
• pp.1996-2008
• /
• 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.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2006년도 제31회 학술논문발표회 초록집
• /
• pp.135-135
• /
• 2006