aspuru-list July 2008

aspuru-list@lists.fas.harvard.edu

10 participants
23 discussions

[Aspuru-Guzik group list] Printing @ Tuxtla

by Roberto Olivares-Amaya

Dear group: Ol' Tijuana is not printing these days. Therefore, a tempoary substitution has been setup at M111 with Alan's printer: Tuxtla. Printing setup instructions are found in the group wiki. This printer is not duplex, so please don't send jobs with two sides. If you want to think about the trees, print the odd pages and the even numbered ones. Good luck Roberto

15 years, 9 months

[Aspuru-Guzik group list] SERS MEETING TODAY 2-4 PM.

by Alan Aspuru-Guzik

Dear group members, We have the first inter-group group meeting today from 2-4. The information is below. Please attend if you are a SERS-ITE, Alan ---------- Forwarded message ---------- From: Ken Crozier <kcrozier(a)seas.harvard.edu> Date: Tue, Jul 8, 2008 at 3:34 PM Subject: Re: DARPA SERS meetings To: Eric Mazur <mazur(a)seas.harvard.edu> Cc: Michael Stopa <stopa(a)deas.harvard.edu>, Alan Aspuru-Guzik < aspuru(a)chemistry.harvard.edu>, Eric Diebold <ediebold(a)fas.harvard.edu>, Yizhuo Chu <ychu(a)fas.harvard.edu>, Mohamad Banaee <mbanaee(a)deas.harvard.edu> Hello again, Our internal "kick-off" meeting will be held from 2-4pm on July 16th in Maxwell Dworkin 221. As discussed, it would be good if students/post-docs could bring & show one slide outlining their research project. Eric D. will make a longer presentation on his work, emphasizing enhancement factor. Suggestions on other matters that could be included on the agenda would be welcomed. See you next week, Ken Ken Crozier wrote: > Hello Everyone, > > You may remember that a while back, I mentioned Sept 30th as a possible > date for a visit from DARPA for a review of our SERS program. This date was > suggested by them. I was trying to reschedule it as Alan will be out of > town that day. > > However, I was meeting with DARPA last week on another matter, and they > mentioned that they'd very much like to stick to the Sept 30th date. Mike > Stopa has agreed to represent the theoretical effort of the program. > > As discussed before, the Sept 30th meeting will be from 8:30-12:30pm. I > will book a room for the meeting and let you know the location. I suggest > the following agenda: overview presentations made by Eric M., Mike and me, > plus student and post-doc presentations on the latest exciting results. > > Please note that we are also holding our own internal "kick-off" on July > 16th from 2-4pm. I will book the room and let you know the location. As > discussed, Eric D. will give a talk on "enhancement factor", and I suggest > other students/postdocs show one slide each on their respective projects. > > Happy July 4th! > Ken > > -- Ken Crozier Assistant Professor of EE Maxwell Dworkin room 147 Harvard University 33 Oxford Street Cambridge, MA 02138 Office: 617-496-1441, Lab: 617-495-2941, Fax: 617-495-2489 -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

15 years, 9 months

[Aspuru-Guzik group list] Photosynthetic excitons.

by Alan Aspuru-Guzik

Dear all, if anybody has checkout it this book, can I borrow it for two days? Let me know, Alan http://www.amazon.com/Photosynthetic-Excitons-Herbert-Van-Amerongen/dp/9810… -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

15 years, 9 months

[Aspuru-Guzik group list] Group meeting 4pm at M217

by Alejandro Perdomo

Jake is up for tomorrow at 4pm at M217. Group meeting next week will be on Friday instead of Wednesday and Nicholas will be up. I will send details about the summer/fall schedule soon. Cheers, -Alejandro

15 years, 9 months

[Aspuru-Guzik group list] Fwd: LaSh08: Last Call for Papers

by Jacob D. Biamonte

Hi everyone, figured some of you might be interested in this workshop. Some of the topics related to the folding and adiabatic work going on in the group. I think they would be interested to learn more about the quantum case. cheers! -jake ---------- Forwarded message ---------- From: Joost Vennekens <Joost.Vennekens(a)cs.kuleuven.be> Date: Tue, Jul 15, 2008 at 6:34 AM Subject: LaSh08: Last Call for Papers To: LaSh08 - WORKSHOP ON LOGIC AND SEARCH Computation of structures from declarative descriptions Final Call For Papers Leuven, Belgium, November 6-7, 2008 http://www.cs.kuleuven.be/~dtai/LaSh08<http://www.cs.kuleuven.be/%7Edtai/LaSh08> ................................................................ IMPORTANT DATES: Submission: August 15, 2008 Notification: September 15, 2008 Workshop: November 6-7, 2008 SCOPE: In many real-life problems, we search for objects of complex nature -- plans, schedules, assignments. Such objects are often represented as (finite) structures, which are implicitly specified by means of theories in some logic. Thus, languages are needed to describe structures, and algorithms to extract them from these implicit descriptions. Propositional Satisfiability (SAT), Constraint Programming (CP), and Answer Set Programming (ASP) are arguably the three most prominent areas that develop such languages and techniques. Each of these areas has been proposed as a declarative programming approach to solving NP-complete combinatorial problems. Such problems abound in computer science, engineering, operations research computational biology and other fields. In many cases, progress is limited by the difficulty of designing implicit representations of structures (modeling), which hinders common acceptance of the aproach, and the inability to solve sufficiently large instances of the problems in practical time bounds (search algorithms). Therefore, these three areas have as a major goal the development of practical modeling languages and methodologies that support the modeling, and algorithms and tools for efficient problem solving. Despite the similar goals of these areas, in many respects SAT, ASP and CP develop as three independent disciplines, focusing on rather different particular problems or questions. There are few, if any, researchers who are experts in all three areas. To date, we are not aware of any meeting which specifically aims at bringing these three areas together. Objectives ========== LaSh08 aims to offer a discussion forum for research in SAT, ASP and CP that focuses on the computation of structures from declarative descriptions. We invite contributions on modeling languages, methodologies, theoretical analysis, techniques, algorithms and systems. The forum is an occasion to exchange ideas on the state-of-the-art; to discuss specific technical problems; to formulate challenges and opportunities ahead; to analyse differences and simularities between the different areas; to study opportunities for synergy and integration. In particular, we would like to foster exchange at least on the following topics: -- integrations of SAT, ASP and/or CP technologies -- comparisons of modeling languages -- criteria for choice of modeling languages (for modeling convenience or efficiency) -- new algorithm directions -- efficient modeling strategies -- new applications -- complexity results, tractable subsets -- completeness results (e.g. capturing complexity classes) -- methods for taking advantage of tractability results -- SAT modulo theories -- solver implementation techniques, -- algorithms for grounding -- modeling languages and constructs (aggregates, global constraints,..) -- search control and heuristics in the context of model generation -- symmetry breaking in model construction -- optimisation problems in model construction: -- languages for optimality criteria; -- algorithms for computing optimal models Systems and Tools: =================== LaSh08 will also provide an opportunity for presentation of implemented systems and tools at a demo session. Thus, we invite submissions of systems and tools that reflect the above ideas, and aim at facilitating declarative problem solving, and making it practical and used. Workshop format: ================ The workshops objective is to create an informal, stimulating atmosphere for exchange of ideas. We invite also reports of work in progress. There will be informal proceedings. Invited speakers ================= * Pascal Van Hentenryck, Brown University, "Constraint Programming at Work ". * Robert Nieuwenhuis, Technical University of Catalonia, "The Barcelogic approach to search: fast and robust but expressive". Organizing Committee ==================== * Enrico Giunchiglia, University of Genova * Victor Marek, University of Kentucky * David Mitchell, Simon Fraser University * Eugenia Ternovska Simon Fraser University * Mirek Truzczynski, University of Kentucky * Marc Denecker, K.U.Leuven Program Chair ============= * Marc Denecker, K.U.Leuven Program Committee ================= * Peter Baumgartner, The Australian National University * Francesco Calimeri, University of Calabria * Koen Claessen, Chalmers University of Technology * Thomas Eiter, Vienna University of Technology * Wolfgang Faber, University of Calabria * Pierre Flener, Uppsala University * Alan Frisch, University of York * Enrico Giunchiglia, University of Genova * Daniel LeBerre, Universite d'Artois * Fangzen Lin, Hong kong University of Science and Technology * Ines Lynce, Universidade Tecnica de Lisboa * Tony Mancini, Sapienza Universita di Roma * Victor Marek, University of Kentucky * David Mitchell, Simon Fraser University * Pierre Marquis, Universite d'Artois * Ilkka Niemela, Helsinki University of Technology * Karem Sakallah, University of Michigan * Torsten Schaub, University of Potsdam * Barry O'Sullivan, University College Cork * Eugenia Ternovska Simon Fraser University * Mirek Truszcznski, University of Kentucky * Pascal Van Hentenryck, Brown University * Toby Walsh, University of New South Wales Local organisation ==================== * Marc Denecker, K.U.Leuven * Joost Vennekens, K.U.Leuven Location ========= The workshop will take place in the Beguinage of Leuven, Belgium. Leuven is an old flemish town, hosting the oldest university of the lower countries. The Beguinage is a medieval city in the city, where the beguines lived together to form a religious community. The Beguinage is recognized as a Unesco World Heritage site. -- :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Jacob D. Biamonte office: (+1) 617 - 496 - 7101 fax: 496-9411 cell: 335-4857 http://aspuru.chem.harvard.edu/People/Jacob_D._Biamonte/ ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

15 years, 9 months

[Aspuru-Guzik group list] Supplies Here!

by Shuting Jin

Most of the supplies from the last order have arrived, and I have put them in the supply cabinet (underneath the printer)! Shuting

15 years, 10 months

[Aspuru-Guzik group list] QC Tutorial today at 4 p.m.

by Jacob D. Biamonte

Dear group, Today at 4 p.m. I will be giving a tutorial on quantum computing and how it applies to chemistry. This is directly connected to the work I have done with James. This talk will be of interest to those members of the group which are new as well as seasoned members wishing to gain another point of view on the topic of quantum chemical simulation algorithms. In addition to what I mentioned above, I will also ask what type of interest we have in the group for me to give a 3-4 lecture series about the development of quantum computing. This would quickly go over the basic ideas that comprise the field. Hope to see you there. -jake P.s. I will be giving a group meeting on a non-related topic next W at 4 p.m. -- :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Jacob D. Biamonte office: (+1) 617 - 496 - 7101 fax: 496-9411 cell: 335-4857 http://aspuru.chem.harvard.edu/People/Jacob_D._Biamonte/ ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

15 years, 10 months

[Aspuru-Guzik group list] Group meeting today: **CANCELLED** -- read ahead, I need your input

by Alejandro Perdomo

Dear group, We will resume next week. I am organizing the schedule for the rest of summer and fall semester. Please take a couple of minutes to send me the weeks you will be traveling. I need your reply by this coming Friday since that is the day I am sending out the schedule. If you don't reply to this e-mail, I will assume that you are okay with any dates. If you have any preferences, send them to me too. Postdocs and undergraduates will be also included in the roster. Thanks, -Alejandro

15 years, 10 months

[Aspuru-Guzik group list] Interesting way to upload to Connotea.

by Alan Aspuru-Guzik

Dear group members, I just noticed that Connotea can also allow upload of references from a local file (E.G. Bibtex). This allows for the convenient use of ISI WebofKnowledge, Zotero, or other tools and then upload to Connotea. The link is on the right: "Import from local file". Cheers, Alan -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

15 years, 10 months

[Aspuru-Guzik group list] Compulsory use of BibTex/Connotea. *Important information*

by Alan Aspuru-Guzik

Dear group, For current and future paper-writing and grant-writing endeavors, the group needs to unify in a way of handling references in papers. Many of you have been using LaTeX's \begin{thebilbiography}\end{thebibliography} method rather than BibTex. This has made me go through many pains every time I end up writing a grant, and it will make you all go through pains whenever you are writing a paper that requires to re-use the bibliography used in another paper by our own group. Simple things like adding titles have made some members of the group spend full afternoons tinkering with your bibliographies in LaTeX. With the help of Shuting, we are adding many of our past \begin{thebibliography}\end{thebibliography} to the Connotea/Bibtex world, but this is a one-time effort, and I will expect of all of you to add all the references (with full bibliographic information) of your papers to Connotea, and then further export a Bibtex file from Connotea for the use in the paper. These bibtex files will have to be in assembla.com in the file associated with your paper, for future re-use by group members and especially myself. I will add a Wiki page with brief instructions right now, and please ask questions in the mailing list if it is not clear. I would say that half of the group members are using bibtex, half are using the impractical \begin{thebilbiography}\end{thebibliography} method, and nobody is finally adding everthing to connotea so we have a universal bibtex database. If your paper is "finished", or "submitted", leave it as it is, but any paper in the works or not submitted yet, is expected to follow this procedure. I started a Howto document in the WIKI. Please help me enrich it, so we are all in the same page. https://www2.lsdiv.harvard.edu/aspuru/wiki/index.php/Writing_a_paper_using_… Cheers to all, Alan -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

15 years, 10 months

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aspuru-list July 2008