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清华讲座预告_北大清华讲座一周预告_清华大学讲座

2015-04-2909:30 The origin of Marcus theory and of its consequences as viewed by achemist

报告题目：

Theorigin of Marcus theory and of its consequences as viewed by a chemist

报告人：

ProfessorJean-Marie André教授

报告时间：

2015-04-2909:30

报告地点：

何添楼406室

主办单位：

化学系帅志刚课题组

简介：

报告摘要

It isstriking to note that the transition state theory has been applied extensivelyin quantum chemistry as soon as the computational facilities have enabled to doit while Marcus Electron Transfer (ET) theory has only been used systematicallyin the last decades.  We believe thatthere are two basic reasons for that situation; first, the validity of Marcustheory has only been experimentally validated in the beginning of the80's.  Secondly, the advent of organicmaterial science and, in particular, the development of OrganicElectroluminescent Diodes (OLED's) have given a strong impulse to quantumchemical calculations related to Electron and Energy Transfer in and betweenmolecules.  It should be mentioned thatthe advanced information displayed by the Nobel committee concerning the NobelPrize in chemistry 2000 on conductive polymers of Heeger, MacDiarmid andShirakawa has a full section entitled "molecular electron-transfertheory" (1)

Wediscuss Marcus theory in its classical and semi-classical formulations.  We pay attention to aspects that are notgenerally presented in the literature and that, in our opinion, are valuable tostate in the case of polymer chains.  Weshow by a few examples selected in our work on conjugated polymers how Marcusformulation can be successfully applied to the elucidation of practicalproblems in conducting and semi-conducting systems and in electroluminescenteffects (2).

References

(1)see http://www.nobel.se/chemistry/laureates/2000/chemadv.pdf, p.11

(2)J.M. André, Computational quantum chemistry on polymer chains: Aspects of thelast half century, to be published in "Theory and Applications ofComputational Chemistry: The First 40 Years", A Volume of Technical andHistorical Perspectives, Clifford E. Dykstra, Gernot Frenking, Kwang S. Kim,and Gustavo Scuseria, Eds., Elsevier, In press (2005)

2015-04-2814:00 Optimal Binary Comparison Search Trees

报告题目：

OptimalBinary Comparison Search Trees

报告人：

MordecaiGOLIN

报告时间：

2015-04-2814:00

报告地点：

FIT1-222

主办单位：

交叉信息研究院

简介：

内容简介：Historically,constructing optimal (minimum average search time) binary search trees  (BSTs) is one of the canonical examples ofdynamic programming.  In 1971, Knuthdescribed how to solve this problem in O(n^2) time, with input specifying the probability of the differentsuccessful and unsuccessful searches.  While the trees constructed were binary, the comparisons used wereternary. Successful searches terminated at internal nodes and unsuccessfulsearches at leaves.

Bycontrast, in binary comparison trees (BCSTs), internal nodes perform binary comparisons; the search branchesleft or right depending upon the comparison outcome and all searches terminateat leaves. Polynomial algorithms exist for solving the optimal BCST problemrestricted to successful searches.  Huand Tucker gave an O(n log n) algorithm when all comparisons are the inequality“<”;  Anderson et. al. developed anO(n^4)  algorithm when both “<” and“=” comparisons are allowed.

Inthis talk we present the first polynomial time algorithms for solving theoptimal BCST  problem when unsuccessfulsearches are included in the input and any set of comparisons are permitted.Our running times depend upon the comparisons allowed.  If equality is not allowed, our algorithmruns in O(n log n) time; if equality is allowed, O(n^4). We also demonstrateO(n) time algorithms that yield almost optimal binary comparison trees, withtree cost within constant additive factor of optimal.

Thisis joint work with Marek Chrobak,  IanMunro and Neal Young.

个人简介：Afterreceiving his doctorate from Princeton University in 1990, Dr Golin worked as aresearcher in the Projet Algorithmes of the Institut National de Recherche enInformatique et en Automatique (INRIA) in Rocquencourt, France before arrivingat HKUST in 1993. Since then, has also been a visiting researcher at theMax-Planck-Institut fur Informatik in Saarbrucken, Germany, INRIA-Sophia inFrance, AT&T Labs-Research, and DIMACS. In addition  he served as theHKUST Associate Vice-President for Postgraduate Studies from 2011-2014.

Moreinformation please see:

https://www.cse.ust.hk/faculty/golin/

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