aspuru-list December 2009

aspuru-list@lists.fas.harvard.edu

29 participants
57 discussions

[Aspuru-Guzik group list] The real list: Roberto wins!

by Johannes Hachmann

Alright, I want the desk labeled O in the map. Your turn Amedeo (the other Sule...)! Taken so far: Roberto: N Johannes: O Johannes ----------------------------------------------- Dr. Johannes Hachmann Postdoctoral Reseach Fellow Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology Harvard University 12 Oxford St, Rm Cv002 Cambridge, MA 02138 USA eMail: jh(a)chemistry.harvard.edu -----------------------------------------------

14 years, 5 months

[Aspuru-Guzik group list] The real list: Roberto wins!

by Jacob J Krich

14 years, 5 months

[Aspuru-Guzik group list] [qip] Unofficial minutes: December 1, 2009

by Andrew Lutomirski

Peter told us about the local Lovász lemma us true for quantum computing http://arxiv.org/abs/0911.1696 Suppose that there is a large probability space and a bunch of events. For example, given a k-SAT instance, each bit is a random variable and the satisfiability of any given clause is an event. Suppose that you have n events B_1 ... B_n. If each event is independent of all but d of the others, and each event occurs w.p. <= p, then: If p*e*(d+1) <= 1, then Pr(no event happens) > 0 In the specific case of k-SAT: Each variable appears in <= z clauses. An event is: clause i not satisfied. Set the random variables to 0 or 1 w.p. 1/2. Then the probability of each event is 2^-k. Pick a clause. Then each variable occurs in at most z-1 other clauses, so each clause is dependent on at most d=k*(z-1) other clauses. Then if z = 2^k / (e_k), the probability of getting a satisfying assignment is >0, so the formula is satisfiable. In the quantum case, we replace the probability space with a Hilbert space V. An event turns into a subspace. The probability of A becomes the relative dimension dim(A)/dim(V). A and B are independent iff R(A intersect B) = R(A) * R(B). There are differences from real probabilities. For example, Pr(A | B) + Pr(A^c | B) = 1 is true classically but is not true of subspaces. QLLL: Let X_1, ..., X_n be subspaces. Now we have each subspace mutually R-independent of the others, so we get the exact same bound in the classical case. This is not useful until k=6. We'll talk about http://arxiv.org/abs/0911.3635/ next week. --Andy _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

14 years, 5 months

[Aspuru-Guzik group list] [iic-colloquium] Reminder: Wednesday, Dec. 2: "Harvard Catalyst Profiles" with Griffin Weber

by Rosalind Reid

Just a reminder of tomorrow's IIC Colloquium: ***************** Harvard Catalyst Profiles: Network Analysis and Data Visualization December 2, 2009, 4:00 pm Room G115, Maxwell Dworkin, 33 Oxford Street, Cambridge Griffin Weber Chief Technology Officer, Harvard Medical School Abstract Profiles is a research networking and expertise discovery website developed for Harvard Catalyst (the Harvard Clinical and Translational Science Center). It contains profiles for 22,000 Harvard Medical School and Harvard School of Public Health faculty, with plans to extend to other Harvard schools. In addition to presenting investigators’ names, titles, degrees, awards, narratives and publications, Profiles uses automated data mining techniques based on natural language processing and artificial intelligence to connect researchers into networks based on characteristics such as being co- authors on articles, having similar interests, or having offices that are physically close. Computational analysis and visualization of these networks reveals how people collaborate in various disciplines, identifies foci where new ideas are emerging, and discovers connections between different academic fields. These tools can suggest novel approaches and recommend the best faculty for solving challenging research problems. Bio Griffin Weber is the Chief Technology Officer of Harvard Medical School (HMS); Director of the Biomedical Research Informatics Core (BRIC) at Beth Israel Deaconess Medical Center (BIDMC); and an Instructor of Medicine at Harvard Medical School in the Division of Interdisciplinary Medicine and Biotechnology, Department of Medicine, Beth Israel Deaconess Medical Center. Weber did his undergraduate work at Harvard, where he concentrated in biomedical sciences and engineering in the Division of Engineering and Applied Sciences. Shortly after arriving at Harvard, he began working as an informatics consultant for several hospitals and medical research centers; and, in 1997, he created one of the world's first hospital-wide web-based electronic medical record systems. Other projects ranged from developing software to analyze DNA microarray databases to modeling the growth of breast cancer tumors to inventing algorithms to predict life expectancy. He entered Harvard Medical School in 2000 as an M.D./Ph.D. student in the Health Sciences and Technology program. In his first year as a medical student, he recognized the need for a web-based curriculum and invented the MyCourses internet web portal, which today is used by over 500 courses at HMS to publish events, announcements, lecture videos, exams, handouts, interactive simulations and other content online. He then joined forces with the HMS Information Technology department and over the next seven years expanded MyCourses and designed a second web portal, eCommons, to serve the content management needs of the administration and researchers of Harvard Medical School. Together, the two portals are used by 20,000 faculty, staff and students over 30,000 times a day. During this time, Weber earned a Ph.D. in computer science with a focus on biomedical informatics and Artificial Intelligence, received a certificate from the Bioinformatics and Integrative Genomics Training Program at MIT, and completed his medical school coursework at HMS. In January, 2007, Weber came to work for HMS full time as its chief technology officer. As CTO, he oversees research and development of new IT initiatives, evaluates emerging technologies, implements enterprise-wide solutions, and initiates collaborative projects with the IT departments of Harvard- affiliated hospitals and institutions. --------------- Refreshments will be served at 3:45 pm. Mark your calendar for this upcoming event: Thursday, Dec. 4, 4:00 pm, Maxwell Dworkin G125: Computer Science Colloquium with Matt Welsh (Harvard SEAS): "How to Program a Macroscope." For more information about IIC colloquia and other events : http://iic.harvard.edu/events/upcoming_____________________________________… iic-colloquium mailing list iic-colloquium(a)seas.harvard.edu https://lists.deas.harvard.edu/mailman/listinfo/iic-colloquium

14 years, 5 months

[Aspuru-Guzik group list] About the move.

by Alan Aspuru-Guzik

Dear all, I still have not gotten information from the department about the move. We will need to add to the lottery software: Dmitrij, Mark and David. Also, Jacob, if possible, add the possibility of seeding the RNG, (it must be an option). I will provide the seed to you, so that the process is more transparent <grin> :) The seed will be generated independently with my Linux box's /dev/random I am trying to get blueprints for the room and the new room, so everybody has a good choice. I will keep you posted throughout the day, most probably we will be moving in sometime tomorrow, I guess, but let me keep you potsed. Also, some of you (the ones that will end up in the 4-person office plus maybe an additional office) will end up in the office downstairs currently where Man-Hong, Semion, et. al are occupying. Therefore, take into account that choosing that 4-person office means you will remain in the office downstairs. I will keep Stephanie and rotating students (Justin) in the office downstairs with those people. Some of you (Dmitrij, Mark, David), might or might not, move downstairs, depending on your choices. If you choose the 4-person office, you might want to stay put while it happens. Alan Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu On Mon, Nov 30, 2009 at 6:50 PM, Jacob J Krich <jkrich(a)fas.harvard.edu>wrote: > I hope I'm not stepping on Sangwoo's toes, but I made a lottery program in > Matlab. It is fully reproduceable, and I did not monkey around at all with > the seed or the people order. The results, from running in Matlab R2009a > (they change their pseudo-random number generator every now and again, so > the version matters), are attached. > > I did not include Justin or Stephanie in the list (should I have?), but > they can easily be added in. > > Best, > Jacob > > Contents > > - Set the seed for the random number generator <#125478049b0fd8bb_1> > - List the group, going around the rooms as currently configured<#125478049b0fd8bb_2> > - Pick the lottery numbers <#125478049b0fd8bb_3> > - Sort the list of names according to the random numbers<#125478049b0fd8bb_4> > - Output the list <#125478049b0fd8bb_5> > > Set the seed for the random number generator > > seedstring='Aspuru-Guzik'; > seed=prod(double(seedstring)); > rand('twister',seed); > > List the group, going around the rooms as currently configured > > Datatable={'Sangwoo';'Sule';'Roberto';'Cesar';'James';'Semion';'Man Hong';... > 'Jacob';'Johannes';'Kenta';'Alejandro';'Ivan';'Joel'}; > > Pick the lottery numbers > > randvec=rand([length(Datatable),1]); > > Sort the list of names according to the random numbers > > [randsort,idx]=sort(randvec); > Datatable=Datatable(idx); > > Output the list > > for i=1:length(Datatable) > Datatable{i,2}=i;end > Datatable > > Datatable = > 'James' [ 1] > 'Sangwoo' [ 2] > 'Jacob' [ 3] > 'Joel' [ 4] > 'Ivan' [ 5] > 'Kenta' [ 6] > 'Man Hong' [ 7] > 'Cesar' [ 8] > 'Roberto' [ 9] > 'Johannes' [10] > 'Sule' [11] > 'Semion' [12] > 'Alejandro' [13] > > > Published with MATLAB® 7.8 > > _____________________________________________ > Aspuru-list mailing list > Aspuru-list(a)lists.fas.harvard.edu > http://lists.fas.harvard.edu/mailman/listinfo/aspuru-list > >

14 years, 5 months

[Aspuru-Guzik group list] organic solar cells meeting on Friday Dec 4

by Roel Sanchez

Dear All, This coming Friday, our collaborator Prof. Zhenan Bao (*bao* group.stanford.edu) and Dr. Rajib Mondal will be visiting our group. We will discuss with them details of the Screensaver Project (see list of talks). Feel free to join the discussion, location: Division Room (from 1 PM to 3 PM). Regards, Roel Sanchez, PhD +++++ 13:00 – 13:20 How We Generated 2 million Molecules, Roberto Olivares-Amaya (M102) 13:20 – 13:40 A First Principles Approach for the Screening and Design of Organic Solar Cells, Dr. Johannes Hachmann (M102) 13:40 – 14:00 A case of study: Charge Transport Characteristics of Small Heteroacene Organic Semiconductors, Dr. Sule Evrenk-Satahan (M102) +++++

14 years, 5 months

[Aspuru-Guzik group list] Presentation archives updated

by J D Whitfield

Hi everyone, I updated the presentation page. The presentation from today and from Frank Koppens are still missing but the rest are accounted for. JDW J. D. Whitfield Aspuru-Guzik Group Department of Chemistry and Chemical Biology Harvard University tel: 301-520-7847 web: aspuru.chem.harvard.edu/people/James_Whitfield

14 years, 5 months

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aspuru-list December 2009