Earticle

We compare quantum Monte Carlo with classic Monte Carlo methods in pricing vanilla options. The quantum Monte Carlo method was performed on a quantum computer using amplitude estimation, an algorithm that provides excellent convergence rates. We find that quantum simulations can achieve stability in computing price and sensitivity. Furthermore, the quantum Monte Carlo method is superior to classical ones in convergence speed and stability.

With an increasing potential to realize quantum computer, it has recently been an important issue to extend the capabilities of RF cavities to maintain longer coherent quantum system. Using superconductors instead of normal metals allows the quantum system to have a substantially enhanced quality factor. In this paper, surface impedances of superconducting cavities are calculated by the Mattis-Bardeen theory with Python & MATLAB programs. With a simulation of electromagnetic field distribution, the sensitivity to dielectric and surface losses of the superconducting cavities are determined. Then calculations of the resonance frequency and quality factor of three-dimensional superconducting resonators made of Al or Nb are discussed.

We report the computer aided design results for a GaSb/InAs broken-gap gate all around nanowire tunneling FET (TFET). In designing, the semi-empirical tight-binding (TB) method using $sp3d5s^*$ is used as band structure model to produce the bulk properties. The calculated band structure is cooperated with open boundary conditions (OBCs) and a three-dimensional $Schr{\ddot{o}}dinger$-Poisson solver to execute quantum transport simulators. We find an device configuration for the operation voltage of 0.3 V which exhibit desired low sub-threshold swing (< 60 mV/dec) by adopting receded gate configuration while maintaining the high current characteristic ($I_{ON}$ > $100 {\mu}A/{\mu}m$) that broken-gap TFETs normally have.

Continued miniaturization and increasingly exact requirements for thin film deposition in the semiconductor industry is driving the search for new effective, efficient, selective precursors and processes. The requirements of defect-free, conformal films, and precise thickness control have focused attention on atomic layer deposition (ALD). ALD precursors so far have been developed through a trial-and-error experimental approach, leveraging the expertise and tribal knowledge of individual research groups. Precursors can show significant variation in performance, depending on specific choice of co-reactant, deposition stage, and processing conditions. The chemical design space for reactive thin film precursors is enormous and there is urgent need for the development of computational approaches to help identify new ligand-metal architectures and functional co-reactants that deliver the required surface activity for next-generation thin-film deposition processes. In this paper we discuss quantum mechanical simulation (e.g. density functional theory, DFT) applied to ALD precursor reactivity and state-of-the-art automated screening approaches to assist experimental efforts leading toward optimized precursors for next-generation ALD processes.

An extension of the density-gradient model to include the non-local transport effect is presented. The governing equations can be derived from the first three moments of the Wigner distribution function with some approximations. A new nonlinear discretization scheme is applied to the model to reduce the discretization error. We also developed a new boundary condition for the $Si/SiO_2$ interface that includes the electron wavefunction penetration into the oxide to obtain more accurate C-V characteristics. We report the simulation results of a 25-nm metal-oxide-semiconductor field-effect transistor (MOSFET) device.

We introduce our in-house program, NANOCAD, for the modeling and simulation of carrier transport in nanoscale MOSFET devices including quantum-mechanical effects, which implements two kinds of modeling approaches: the top-down approach based on the macroscopic quantum correction model and the bottom-up approach based on the microscopic non-equilibrium Green’s function formalism. We briefly review these two approaches and show their applications to the nanoscale bulk MOSFET device and silicon nanowire transistor, respectively.

Nervous necrosis virus (NNV) is a deadly infectious disease that affects several fish species. It has been found that the NNV utilizes grouper heat shock cognate protein 70 (GHSC70) to enter the host cell. Thus, blocking the virus entry by targeting the responsible protein can protect the fishes from disease. The main objective of the study was to evaluate the inhibitory potentiality of 70 compounds of Azadirachta indica (Neem plant) which has been reported to show potential antiviral activity against various pathogens, but activity against the NNV has not yet been reported. The binding affinity of 70 compounds was calculated against the GHSC70 with the docking and molecular dynamics (MD) simulation approaches. Both the docking and MD methods predict 4 (PubChem CID: 14492795, 10134, 5280863, and 11119228) inhibitory compounds that bind strongly with the GHSC70 protein with a binding affinity of -9.7, -9.5, -9.1, and -9.0 kcal/mol, respectively. Also, the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the compounds confirmed the drug-likeness properties. As a result of the investigation, it may be inferred that Neem plant compounds may act as significant inhibitors of viral entry into the host cell. More in-vitro testing is needed to establish their effectiveness.

In this work, we demonstrate the modelling and simulation of the AlGaAs/GaAs quantum-well based light emitting transistor(LET). Based on the experimental and theoretical model, we have compared between a heterojunction bipolar transistor(HBT) structure with quantum wells in the base region and a HBT without quantum wells in the base region. For the purpose of optimizing device design, several analytic and numerical studies have been presented.

Quantum dots were designed within a GRIN-SCH(Graded index - Separate confinement Heterostructure) heterostructure to create a high power InAlAs/AlGaAs laser diode. 808 nm light emission was with a quantum dot composition of In0.665Al0.335As and wetting layer composition of Al0.2Ga0.8As by LASTIP simulation software. Typical characteristics of GRIN structures such as high confinement ratios and Gaussian beam profiles were shown to still apply when quantum dots are used as the active media. With a dot density of 1.0x1011 dots/cm2, two quantum dot layers were found to be good enough for low threshold, high-power laser applications.

Steady-state I-V characteristics of a resonant tunneling diode (RTD) is calculated by numerical analysis using quantum liouville equation based on wigner function which is derived from density operator. Modifications to the conventional discrete model are made to calculate more accurate quantum correlations. It is pointed out that we must include inelastic processes and the resistivity of the contacting layers to get a much more credible potential which can be theoretically obtained from the simple screening theory. The effects of spatially-varying effective mass is also checked briefly.

A 2D-simulation using a quantum model of silicon nanowire (SiNW) field-effect transistors (FETs) have been performed by the effective mass theory. We have investigated very close for real device analysis, so we used to the non-equilibrium Green's function (NEGF) and the density gradient of quantum model. We investigated I-V characteristics curve and C-V characteristics curve of the channel thickness from 5nm to 200nm. As a result of simulation, even higher drain current in SiNW using a quantum model was observed than in SiNW using a non-quantum model. The reason of higher drain current can be explained by the quantum confinement effect.

In this paper, we report our quantum mechanical approach for the analysis of FinFET in a self-consistent manner. The simulation results are carefully investigated for FinFET with an electrical channel length(Leff) of 30nm and with a fin thickness(Tsi) of 10～35nm. We also demonstrated the differences in the simulations for the classical and quantum-mechanical simulation approaches, respectively. These simulation results also imply that it is necessary to solve the coupled Poisson and Schrodinger equations in a self-consistent manner for analyzing the sub-30nm MOSFETS including FinFET.

Analog-to-digital converter has attracted a lot of interests as one of the most prospective area of an application of Josephson Junction technology. Recently, the development of a digital-to-analog converter has been pursued to achieved the high performance. One of the main advantage in using single flux quantum logic in a digital-to-analog converter is the low voltage drop in a single Josephson Junction and hence the resolution of the output voltage of this digital-to-analog converter can be very high. In this work, we have used a software, called WRspice, to study a voltage multiplier circuit which is the basic block in building a digital-to-analog circuit. In simulation, we operated a voltage multiplier with .4 Josephson Junctions per stage and studied the dependence on the circuit bias currents and the circuit inductors of the voltage multiplier. Our simulation results showed a fast operation and reasonable circuit margins.

조명에 사용되는 일반적인 백색 발광 다이오드는 청색 발광 다이오드 위에 황색 형광체를 입힌 구조가 보편적이나 발광 스펙트럼상 짙은 적색 성분이 부족해서 조명의 연색성이 떨어지는 문제가 있다. 본 연구에서는 백색 발광 다이오드의 연색 특성을 개선하기 위해 적색 양자점 조명을 백색 조명의 확산판에 적용한 후 광학 시뮬레이션을 이용해 광구조를 최적화하고자 하였다. 양자점의 평균 자유 행정 및 확산판 내 TiO₂ 입자의 농도를 조절해 연색지수, 휘도 등 광특성을 조사했다. 대부분의 조건에서 연색지수는 90을 넘었고 이는 적색 양자점 필름의 적용이 일반적인 백색 발광 다이오드의 연색 특성을 개선하는 데 효과적인 방법임을 보여준다. 색좌표의 각도 의존성은 확산판과 조명 하단의 반사판 사이에 형성되는 광학적 공동 구조를 활용함으로써 제거할 수 있었는데 이는 공동 내 위치한 양자점 필름을 통한 빛의 다중 투과가 시야각에 따른 광경로의 차이를 줄였기 때문으로 해석된다.

Conventional white light-emitting diodes (LEDs) for lighting applications consist of blue LEDs and yellow phosphors, the spectrum of which lacks deep red. To improve the color-rendering characteristics of white LEDs, a red quantum-dot film was applied to the diffuser plate of LED lighting. The mean free paths of the quantum dots and the concentration of the TiO₂ particles in the diffuser plate were adjusted to optimize the optical structure of the lighting. The color-rendering index (CRI) was greater than 90 for most conditions, which demonstrates that adoption of the red quantum-dot film is an effective way for improving the color-rendering properties of conventional white LEDs. The angular dispersion of color coordinates could be removed by utilizing the optical cavity formed between the diffuser plate and the reflector on the bottom of the lighting, where multiple passages of the light through the quantum-dot film reduced the differences in optical path length depending on the viewing angle.