Quantum chemistry in parallel with PQS

This article describes the capabilities and performance of the latest release (version 4.0) of the Parallel Quantum Solutions (PQS) ab initio program package. The program was first released in 1998 and evolved from the TEXAS program package developed by Pulay and coworkers in the late 1970s. PQS was designed from the start to run on Linux‐based clusters (which at the time were just becoming popular) with all major functionality being (a) fully parallel; and (b) capable of carrying out calculations on large—by ab initio standards—molecules, our initial aim being at least 100 atoms and 1000 basis functions with only modest memory requirements. With modern hardware and recent algorithmic developments, full accuracy, high‐level calculations (DFT, MP2, CI, and Coupled‐Cluster) can be performed on systems with up to several thousand basis functions on small (4‐32 node) Linux clusters. We have also developed a graphical user interface with a model builder, job input preparation, parallel job submission, and post‐job visualization and display. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009     

Effects of information asymmetry on cooperation in the prisoners’ dilemma game

Effects of information asymmetry on cooperation in the prisoners’ dilemma game are investigated. The amplitude A is introduced to describe the degree of information asymmetry. It is found that there exists an optimal value of amplitude Aopt at which the fraction of cooperation reaches its maximal value. The reason lies in that cooperators on the two-dimensional grid form large clusters at Aopt . In addition, the theoretical analysis in terms of the meanfield theory is used to understand this kind of phenomenon. It is confirmed that the information asymmetry plays an important role in the dynamics of the dilemma games of spatial prisoners.     

Integrating the environmental factor into the strategy updating rule to promote cooperation in evolutionary games

Many previous studies have shown that the environment plays an important role for social individuals. In this paper, we integrate the environmental factor, which is defined as the average payoff of all a player's neighbours, with the standard Fermi updating rule by introducing a tunable parameter, ω. It is found that the level of cooperation increases remarkably, and that the cooperators can better resist the invasion of defection with an increase in ω. This interesting phenomenon is then explained from a microscopic view. In addition, the universality of this mechanism is also proved with the help of the small-world network and the random regular graph. This work may be helpful in understanding cooperation behaviour in species from unicellular organisms up to human beings.     

带有限反馈下层的二层规划问题的部分合作模型

对下层最优反馈为离散有限多个的二层规划问题的部分合作模型进行探讨. 当下层的合作程度依赖于上层的决策变量时, 给出一个确定合作系数函数的一般方法, 进而得到一个新的部分合作模型. 在适当地假设下, 可保证所给的部分合作模型一定可以找到比悲观解要好的解, 并结合新的部分合作模型对原不适定问题进行分析, 得到了一些有益的结论. 最后以实际算例说明了所给部分合作模型的可行性.     

成本不确定时企业技术创新联盟中的策略承诺分析

技术创新日益受到重视,特别是跨产业合作已成为企业突破自身资源困境的有效途径之一。为了避免可能的投机行为,成员企业往往做出事前承诺。然而如何承诺才能有效避免伙伴投机,进而提高合作绩效？本文将据此考察上游成本和联合创新水平不确定时的策略承诺,并分析承诺对合作创新行动的影响。本文提出状态依赖承诺的概念,并通过研究发现策略承诺能够降低不确定性所带来不利影响,刺激创新投入,并提高合作绩效——特别是对上游的激励作用更强。本文从理论上指出策略承诺在合作创新中的积极作用,特别是对供应商参与新产品研发的重要激励作用。     

Zero-determinant strategy:An underway revolution in game theory

Repeated games describe situations where players interact with each other in a dynamic pattern and make decisions according to outcomes of previous stage games. Very recently, Press and Dyson have revealed a new class of zero-determinant(ZD) strategies for the repeated games, which can enforce a fixed linear relationship between expected payoffs of two players, indicating that a smart player can control her unwitting co-player’s payoff in a unilateral way [Proc. Acad. Natl. Sci.USA 109, 10409(2012)]. The theory of ZD strategies provides a novel viewpoint to depict interactions among players,and fundamentally changes the research paradigm of game theory. In this brief survey, we first introduce the mathematical framework of ZD strategies, and review the properties and constrains of two specifications of ZD strategies, called pinning strategies and extortion strategies. Then we review some representative research progresses, including robustness analysis,cooperative ZD strategy analysis, and evolutionary stability analysis. Finally, we discuss some significant extensions to ZD strategies, including the multi-player ZD strategies, and ZD strategies under noise. Challenges in related research fields are also listed.     

基于串联哑铃型微环谐振腔的二维相干光码分多址编解码器

利用微环谐振腔阵列进行光码分多址编解码过程中,微环谐振腔反射谱的自由频谱宽度(FSR)范围制约该系统用户容量的提升.本文提出了一种新型的基于游标效应的串联哑铃型微环谐振腔光编解码器.利用Matlab建立了半径分别为40μm-30μm-40μm的哑铃型微环谐振腔光编解码器模型.详细分析了光反射谱伪模抑制与耦合系数的关系,研究了耦合系数、码片速率对串联哑铃型微环谐振腔光编解码器性能的影响.结果表明,与半径分别为40μm-40μm-40μm的传统串联微环谐振腔编解码器相比,哑铃型微腔编解码器FSR值扩大了4倍.理想情况下,用户容量可呈指数增长.同时,互相关峰值比(P/W)与自相关峰值旁瓣比(P/C)分别提高了约33%和8%.     

带平衡约束的离散网络平衡设计问题的遗传算法

本文研究了带平衡约束的离散网络设计问题及其求解算法.模型中上层是一个离散网络设计的数学规划模型,采用遗传算法来求解.下层是采用变分不等式描述的用户平衡配流问题,利用对角化方法直接求解.通过实例对算法进行验证,结果表明该算法是有效的.     

求解用户平衡与系统最优模型的新算法

近些年,国内外许多学者针对交通规划提出了诸如用户平衡(UE)、系统最优(SO)等模型,但由于交通网络的复杂性,这些模型的求解相对困难,考虑到在一般的UE、S0模型中,其约束条件为线性约束与非负约束,给出一种求解交通规划模型的新算法,算法不需使用任何线搜索,只要通过求解一个简单的二次规划问题得到下降方向即可,最后,将该算法应用到简单的交通网络中,并通过与相继平均法(MSA)进行比较,验证了该算法的收敛速度较快。     

基于进化博弈视角的水源地与下游生态补偿合作演化分析

水源地与下游地方政府之间的协议合作可以协调流域上下游之间的矛盾和利益,是一种可实现流域生态保护良性循环的生态补偿尝试。本文应用进化博弈的双种群博弈理论,研究了水源地和下游地方政府之间博弈演化过程及影响因素。研究表明,流域上下游地方政府合作的演化方向主要受水源地不保护及下游不补偿受到的惩罚、下游对水源地的补偿额度、水源地和下游合作的初始成本、水源地生态保护的成本及收益等八个因素的影响。降低水源地的保护成本及水源地和下游合作的初始成本,提高水源地因保护而获得的综合效益、提高水源地不保护及下游不补偿受到的惩罚额度、合理确定下游对水源地的补偿额度将有利于水源地生态补偿机制向合作方向演进。