Molecular Dynamics Simulation on Stability of Insulin on Graphene

通过分子动力学模拟研究了胰岛素与不同尺寸石墨烯的相互作用,并比较了固定的石墨烯与不固定的石墨烯对蛋白质吸附行为及动力学的影响. 通过分析胰岛素蛋白在吸附过程中构象与取向的变化和吸附过程的动力学行为证实了石墨烯对胰岛素蛋白的有效吸附. 通过对蛋白质结构的分析发现蛋白质的三级结构在所有的体系中均有不同程度的破坏,而蛋白质二级结构的稳定性则与体系有关,其中非固定的石墨烯因其具有较大柔性而表现出对蛋白质二级结构的破坏具有一定选择性. 同时还发现石墨烯的尺寸对于胰岛素的吸附动力学过程也有较大影响.     

功能性多吡啶配体的合成

经过多步反应,合成了10个新的多吡啶配体,其中,有带强吸附性的基团(磷酸基、羧基),有对pH敏感及具有平面大共轭体系的联多吡啶配体及其中间体,用光谱鉴定了它们的结构.     

利用四原子Cluster态概率隐形传送两原子纠缠态

提出两个二能级原子纠缠态的隐形传态方案,方案中选用由四个全同二能级原子组成的非最大纠缠Cluster态作为量子信道.研究表明,接收者根据发送者传送的经典信息,通过引入一个附加原子并实施相应的幺正变化,即可以一定的概率重构原子态,此概率由Cluster态中绝对值最小的两个系数决定.该方案中使用的是Cluster非最大纠缠态作为量子信道,因此与其他方案相比该方案可以节约更多的纠缠资源和经典信息.如果使用Cluster最大纠缠态作为量子信道,那么此方案即为一般的量子传态方案,成功传送的概率为100％.     

Relative ordering of square-norm distance correlations in open quantum systems

We investigate the square-norm distance correlation dynamics of the Bell-diagonal states under different local decoherence channels, including phase flip, bit flip, and bit-phase flip channels by employing the geometric discord(GD) and its modified geometric discord(MGD), as the measures of the square-norm distance correlations. Moreover, an explicit comparison between them is made in detail. The results show that there is no distinct dominant relative ordering between them. Furthermore, we obtain that the GD just gradually deceases to zero, while MGD initially has a large freezing interval,and then suddenly changes in evolution. The longer the freezing interval, the less the MGD is. Interestingly, it is shown that the dynamic behaviors of the two geometric discords under the three noisy environments for the Werner-type initial states are the same.     

H atom transfer of collinear OH…O system

A quantum mechanical calculation was performed to study the hydrogen atom transfer of collinear OH…O/OD…O system, for which Delves' coordinates and R- matrix propagation method were applied in a Melius-Blint potential energy surface. The calculation result showed that the state-state H atom transfer probability comported strong oscillation phenomena and collision delay time of the title system was in the fs-ps time scale. The kinetic isotope effect was calculated in this work too.     

基于SQUIDs和腔场相互作用传送量子信息的方案

本文提出了一个基于SQUIDs和腔场的大失谐相互作用传送量子信息的方案,此方案可以直接地、百分之百地实现量子信息的传送.该方案中腔场和SQUIDs系统之间没有量子信息的传递,腔场只是虚激发,这样对腔的品质因子的要求大大的降低了.同时也可以在SQUIDs之间建立传送量子信息的量子网络.     

通过四比特 态实现任意量子态的量子隐形传态方案

提出了一个将四比特|χ〉态作为量子通道实现任意单量子比特和两量子比特的量子态的隐形传送方案.该方案依赖于两个通信站点之间的纠缠.在这个方案里,我们给出了Alice的测量结果以及Bob进行的相应的幺正操作,计算结果表明,该隐形传送方案是完美的,也就是说它的成功概率可达到1.此外,该方案中用到的测量以及纠缠通道的制备在目前的技术下是完全可行的.因此,我们的方案有望在实验上实现.     

DMP与DEP在凝聚相中裂解反应理论研究∶隧道效应与溶剂效应(英文)

采用密度泛函理论(DFT)B3LYP方法,以极化连续模型(PCM)和导体反应场模型(COSMORS)的溶剂模型为基础,结合反应动力学研究了2,2-二甲氧基丙烷(DMP)与2,2-二乙氧基丙烷(DEP)在凝聚相(溶液相)中的裂解反应.结果表明,四元环过渡态裂解反应机理是DMP与DEP裂解反应的主反应通道,溶剂效应和隧道效应对液相中的裂解反应速率有较大的影响,而且溶剂效应的影响更显著.在凝聚相反应理论研究中,溶剂效应和量子隧道效应都是不能忽略的因素.     

Dynamics of entanglement under decoherence in noninertial frames

In this paper,we investigate the entanglement dynamics of a two-qubit entangled state coupled with its noisy environment,and plan to utilize weak measurement and quantum reversal measurement to study the entanglement dynamics under different decoherence channels in noninertial frames.Through the calculations and analyses,it is shown that the weak measurement can prevent entanglement from coupling to the amplitude damping channel,while the system is under the phase damping and flip channels.This protection protocol cannot prevent entanglement but will accelerate the death of entanglement.In addition,if the system is in the noninertial reference frame,then the effect of weak measurement will be weakened for the amplitude damping channel.Nevertheless,for other decoherence channels,the Unruh effect does not affect the quantum weak measurement,the only exception is that the maximum value of entanglement is reduced to√2/2of the original value in the inertial frames.     

辛准经典轨迹法研究Cl+H2反应

用辛准经典轨迹法模拟了Cl+H2反应在mBW2势能面上的动力学行为。研究了各种初始条件下的反应碰撞截面,产物的能量分配,角度分布和态分布。另外,我们还比较了反应物的三种能量形式(平动能,转动能和振动能)对反庆的有效性。