• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.744-750
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• 2003

In quantum dynamics of many-body systems, to identify the Hamiltonian becomes more difficult very rapidly as the number of degrees of freedom increases. In order to simplify the dynamics and to deduce dynamically relevant Hamiltonian information, it is desirable to control the dynamics to lie within a reduced space. With a judicious choice for the cost functional, the closed loop optimal control experiments can be manipulated efficiently to steer the dynamics to lie within a subspace of the system eigenstates without requiring any prior detailed knowledge about the system Hamiltonian. The procedure is simulated for optimally controlled population transfer experiments in the system of two degrees of freedom. To show the feasibility of steering the dynamics to lie in a specified subspace, the learning algorithms guiding the dynamics are presented along with frequency filtering. The results demonstrate that the optimal control fields derive the system to the desired target state through the desired subspace.

• Bulletin of the Korean Chemical Society
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• 제32권7호
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• pp.2233-2236
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• 2011

We evaluate quantum-mechanical velocity autocorrelation functions from classical molecular dynamics simulations using quantum correction approaches. We apply recently developed approaches to supercritical argon and liquid neon. The results show that the methods provide a solution more efficient than previous methods to investigate quantum-mechanical dynamic behavior in condensed phases. Our numerical results are found to be in excellent agreement with the previous quantum-mechanical results.

• Journal of the Optical Society of Korea
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• 제10권4호
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• pp.184-187
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• 2006

For resonant excitation of the ground state $1s^e-1S^h_{3/2}$, dynamics of 'the electron-hole pair in a CdSe quantum dot was investigated by degenerate pump-probe measurement. At low e-h pair densities, the decay of $1s^e-1S^h_{3/2}$ state is dominated by radiative recombination. As the number of the electron-hole pairs increases, new decay features become significant. Theoretical comparison suggests this is attributed to the bi-molecular and Auger-type scattering.

• 대한수학회지
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• 제45권4호
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• pp.1075-1087
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• 2008

We study a class of KMS-symmetric quantum Markovian semigroups on a quantum spin system ($\mathcal{A},{\tau},{\omega}$), where $\mathcal{A}$ is a quasi-local algebra, $\tau$ is a strongly continuous one parameter group of *-automorphisms of $\mathcal{A}$ and $\omega$ is a Gibbs state on $\mathcal{A}$. The semigroups can be considered as the extension of semi groups on the nontrivial abelian subalgebra. Let $\mathcal{H}$ be a Hilbert space corresponding to the GNS representation con structed from $\omega$. Using the general construction method of Dirichlet form developed in [8], we construct the symmetric Markovian semigroup $\{T_t\}{_t_\geq_0}$ on $\mathcal{H}$. The semigroup $\{T_t\}{_t_\geq_0}$ acts separately on two subspaces $\mathcal{H}_d$ and $\mathcal{H}_{od}$ of $\mathcal{H}$, where $\mathcal{H}_d$ is the diagonal subspace and $\mathcal{H}_{od}$ is the off-diagonal subspace, $\mathcal{H}=\mathcal{H}_d\;{\bigoplus}\;\mathcal{H}_{od}$. The restriction of the semigroup $\{T_t\}{_t_\geq_0}$ on $\mathcal{H}_d$ is Glauber dynamics, and for any ${\eta}{\in}\mathcal{H}_{od}$, $T_t{\eta}$, decays to zero exponentially fast as t approaches to the infinity.

• 전자통신동향분석
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• 제39권3호
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• pp.58-68
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• 2024

Quantum computing can be a game changer in all areas of economy security, and society, and it is expected to bring innovation to the entire industrial ecosystem. The competition in this industry is accelerating with various countries pushing for policies to preempt technology and maintain a technological advantage. The quantum computing market is expected to show commercial gains in 2027 as an inflection point. Initially, it is expected to replace the high-performance computing market. However the continuous growth of quantum computing will depend on the development innovative services such as ChatGPT in AI, and technological breakthroughs. We examine the definition and outlook, evolution and dynamics, and supply chain structure of the quantum computing industry in an attempt to unveil implications for its development.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2008년도 International Meeting on Information Display
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• pp.1049-1052
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• 2008

We developed novel molecular dynamics and quantum chemical molecular dynamics simulators for the design of MgO protecting layer in plasma display panel. These simulators were applied to the investigations on the destruction processes of the MgO protecting layer as well as the evaluation of its second electron emission ability. From the simulation results, we successfully proposed new guidelines for MgO protecting layer with high durability and high second electron emission ability.

• Interaction and multiscale mechanics
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• 제1권2호
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• pp.303-315
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• 2008

In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.858-864
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• 2014

Recently, many researches have shown that even photosynthetic light-harvesting pigment-protein complexes can have quantum coherence in their excitonic energy transfer at cryogenic and physiological temperatures. Because the protein supplies such noisy environment around pigments that conventional wisdom expects very short lived quantum coherence, elucidating the mechanism and searching for an applicability of the coherence have become an interesting topic in both experiment and theory. We have previously studied the quantum coherence of a phycocyanin 645 complex in a marine algae harvesting light system, using Poisson mapping bracket equation (PBME). PBME is one of the applicable methods for solving quantum-classical Liouville equation, for following the dynamics of such pigment-protein complexes. However, it may suffer from many defects mostly from mapping quantum degrees of freedom into classical ones. To make improvements against such defects, benchmarking targets with more accurately described dynamics is highly needed. Here, we fall back to reduced hierarchical equation of motion (HEOM), for such a purpose. Even though HEOM is known to applicable only to simplified system that is coupled to a set of harmonic oscillators, it can provide ultimate accuracy within the regime of quantum-classical description, thus providing perfect benchmark targets for certain systems. We compare the evolution of the density matrix of pigment excited states by HEOM against the PBME results at physiological temperature, and observe more sophisticated changes of density matrix elements from HEOM. In PBME, the population of states with intermediate energies display only monotonically increasing behaviors. Most importantly, PBME suffers a serious issue of wrong population in the long time limit, likely generated by the zero-point energy leaking problem. Future prospects for developments are briefly discussed as a concluding remark.

• 한국광학회:학술대회논문집
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• 한국광학회 2000년도 제11회 정기총회 및 00년 동계학술발표회 논문집
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• pp.122-123
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• 2000

Fock-state is a highly non-classical radiation-field state. So if one can generate a Fock-state it is possible to study many interesting quantum-mechanical aspects. But in spite of its attraction, it is very difficult to generate a Fock-state experimentally although there have been many theoretical and experimental efforts to do it. Recently Chough et. al.$^{(1)}$ proposed a feasible scheme to achieve quasi number states. The key is to exploit the multi-photon resonances occurring in a driven Jaynes-Cummings system, so it is important to understand the processes at multi-photon resonances. In the present work we study the dynamics of multi-photon resonances in the driven Jaynes-Cummings system. (omitted)

• Journal of Microbiology and Biotechnology
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• 제17권7호
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• pp.1098-1105
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• 2007

Quantum mechanical and molecular dynamics simulation analysis has been performed on the model system for CALB (Candida antarctica lipase B) with esters to study the reaction mechanism and conformational preference of catalytic hydrolysis and the esterification reaction. Using quantum mechanical analysis, the ping-pong bi-bi mechanism was applied and energies and 3-dimensional binding configurations of the whole reaction pathways were calculated. Further molecular dynamics simulation analysis was performed on the basis of the transition state obtained from quantum mechanical study to observe the effect of structures of the substrates. Calculation results using substrates of different chain length and chiral configurations were compared for conformational preference. The calculated results showed very small influence on chain length, whereas chiral conformation showed big differences. Calculated results from molecular modeling studies have been compared qualitatively with the experimental data using racemic mixtures of (${\pm}$)-cis-4-acetamido-cyclopent-2-ene-1-ethyl acetate as substrates.