aspuru-list March 2010

aspuru-list@lists.fas.harvard.edu

23 participants
74 discussions

[Aspuru-Guzik group list] Fwd: To all EFRC students & postdocs: Spring progress reports are due April 8th

by Alan Aspuru-Guzik

Excitonics Group members Please run by me: Due to me on Monday Alan Alan Aspuru-Guzik (Sent from my mobile phone and might contain typos. Thanks for understanding.) Begin forwarded message: > From: "Marc Baldo" <baldo(a)MIT.EDU> > Date: April 1, 2010 0:16:12 GMT+02:00 > To: <efrc-all(a)mit.edu> > Subject: To all EFRC students & postdocs: Spring progress reports > are due April 8th > > To all Excitonics students & postdocs, > > It is time to post the Spring progress report on the Excitonics > Center blog. The format is the same as the Fall report but with one > important change. > > > > The important change this time is that we need a list of: > > > > 1. Your publications since Aug 1st 2009 (published or > submitted). Please list the full reference including article title > and page numbers > > 2. Your presentations since Aug 1st 2009. Again, please list > the title, authors, and conference title, date and location. > > 3. Your patents since Aug 1st 2009 (title and date filed) > > 4. Any other excitonics-related activity that you think is > notable. > > > > For each item on your list, please indicate whether your publication/ > presentation/patent was completely or partially supported by the > EFRC. If partially, please estimate with your advisor what fraction > of the work is attributable to the EFRC (e.g. 50%). > > > > Please upload your report before the end of next week (April 8th). > If you have any questions please contact Rita or me. > See below for instructions. > > > Best regards, > > marc > > ---------------------------------------------------- > Instructions: > > > > go to > > http://excitonics.mit.edu/network/wp-login.php > > There are two logins. > > > > The first login enters the server. > Everyone should use the user name: wpuser > Password: eXc1ton1cs > > The second login enters the blog itself. You should already know your > personalized user name and password in a recent email. > > Format > > 1. Select 'My blogs' from the top menu, highlight the Excitonics > blog, then > select 'New post' from the drop down menu that appears. > > 2. Enter your project title at the top. > > 3. Enter your accompanying text below that. > > 4. Put your publications, presentations, patents and other > activities in a list below the text. > > > > 5. You can upload an image by selecting 'Add media'. > > 6. Select 'Progress reports' in the categories menu at lower right. > > 7. Finally, click on 'Publish' at top right. It is OK to leave the > visibility as 'public'. > > For a style guide, please look at the existing blog posts on the > site. If > you need to upload links to longer documents such as publications or > presentations, select 'Add new' under the Media heading on the > dashboard. > > > > > > > > Associate Professor of Electrical Engineering and Computer Science > > Director of the Center for Excitonics > > MIT, Room 13-3053 > > 77 Massachusetts Av, Cambridge, MA 02139 > > baldo(a)mit.edu > > http://softsemi.mit.edu/ > > http://www.rle.mit.edu/excitonics/ > > > >

14 years

[Aspuru-Guzik group list] [iic-colloquium] IIC Colloquium reminder: Ben Fry on "Computational Information Design" March 31

by Rosalind Reid

A reminder of Wednesday's IIC Colloquium. Please join us! ********************* Computational Information Design March 31, 2010, 4:00pm Room G-115, Maxwell Dworkin, 33 Oxford Street, Cambridge Ben Fry, design and software consultant, author and co-developer of Processing Abstract The ability to collect and store data continues to increase, but our ability to understand it remains unchanged. In an attempt to gain better understanding of data, fields such as information visualization, data mining and graphic design are employed, each solving an isolated part of the specific problem, but failing in a broader sense: There are still too many unsolved data visualization problems. As a solution, I seek to bring the individual fields together as part of a single process. I’ll be showing examples of work developed as part of my Ph.D. dissertation at the MIT Media Laboratory, as a postdoc studing genetics at the Eli & Edythe L. Broad Institute of MIT & Harvard, and more recently running a company that consults on design and software development. The work ranges from illustrations of data for magazines and journals to software tools used by geneticists to interactive database applications for Fortune 10 companies. About the speaker Ben Fry runs a software and design consultancy in Cambridge, MA that focuses on understanding complex data. Fry received his doctoral degree from the Aesthetics + Computation Group at the MIT Media Laboratory, where his research focused on combining fields such as computer science, statistics, graphic design, and data visualization as a means for understanding information. With Casey Reas of UCLA, he develops Processing, an open source programming environment used by tens of thousands of students, artists, engineers and scientists. At the end of 2007, he published Visualizing Data with O'Reilly. Fry's personal work has shown at the Whitney Biennial, the Cooper Hewitt Design Triennial and the Museum of Modern Art in New York. His information graphics have also illustrated articles for the journal Nature, New York Magazine, The New York Times, Seed and Communications of the ACM. --------------- Refreshments will be served at 3:45 pm. Mark your calendar for these upcoming IIC Colloquia: Wednesday, Apr. 7: Bruce Boghosian, Tufts University Wednesday, Apr. 14: Frank Baetke, High Performance Computing, Hewlett Packard 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

[Aspuru-Guzik group list] Next Monday.

by Alan Aspuru-Guzik

Dear group, Next Monday's Physics Colloquim speaker is Graham Fleming. FYI. Best, A. 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

14 years

[Aspuru-Guzik group list] Fwd: Paper

by Alan Aspuru-Guzik

Dear group members, For those of you that are interested in the recent paper by Martin Plenio: Here are some comments by Steven White, the person that invented DMRG. As you guys know, I am here amongst the DMRG gods, and asked him to tell me his impressions. They are below. I am very happy to hear that Ville already has DMRG in his fantastic toolkit, so I think we could potentially have t-DMRG soon and use similar models if needed. Best, A. 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 ---------- Forwarded message ---------- From: Steven White <srwhite(a)uci.edu> Date: Tue, Mar 30, 2010 at 2:29 AM Subject: Re: Paper To: Alan Aspuru-Guzik <alan(a)aspuru.com> Dear Alan, The mapping looks similar to things I've seen in solid state. I have thought the near-neighbor coupling could be generated with a fair amount of generality by a Lanczos type procedure--so I'm not sure how this polynomial version is different. Regarding the t-DMRG, the paper is missing a section on the calculational details, and references. This might be like saying "using DFT, we solved this problem and here are the energies" without ever mentioning which DFT, which basis, etc etc. It is all probably fine, but here are some questions needing answers in any reasonable paper: Which version of t-DMRG (reference), which breakup (2nd order Trotter? 4-th order Trotter?) What time step? How big a lattice? How many time steps? How many states kept? Was the truncation controlled by a truncation error cutoff or a maximum number of states? What was the accumulated truncation error? What was the maximum in the number of states kept if the a truncation error cutoff was used? Can they show any plots with different cutoff criterion for comparison? What do they mean by numerically exact? (This phrase is sometimes used for regular DMRG in a 1D system, but I've never heard it used for time dependent DMRG.) How long did the calculations take? Without these sorts of details one can't really evaluate the t-DMRG part. Best regards, Steve On Tue, Mar 30, 2010 at 1:15 AM, Alan Aspuru-Guzik <alan(a)aspuru.com> wrote: > Dear Steven > > This is the paper I was talking to you about. Let me know your thoughts on > the time evolution aspect. > > Best and thanks! > Alan >

14 years

[Aspuru-Guzik group list] Reply ASAP- Visit Prof. Batista, Yale University

by Alejandro Perdomo

Dear group, Prof. Batista, http://xbeams.chem.yale.edu/~batista/, will be visiting tomorrow afternoon. He work is mainly in theoretical chemistry/quantum chemistry related to energy transfer, solar cells, material science and also quantum dynamics in chemical systems. If you are interested in meeting with him, either as a group discussion or one-to-one, please let me know ASAP. I will arrange the meetings between 2:30 and 6pm depending on how many people reply. Cheers, -A -- Alejandro Perdomo-Ortiz Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

14 years

[Aspuru-Guzik group list] Fwd: YCC Announces Ciba Travel Award

by Alan Aspuru-Guzik

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 ---------- Forwarded message ---------- From: On behalf of Younger Chemists Committee <m_lester(a)acs.org> Date: Mon, Mar 29, 2010 at 11:13 PM Subject: YCC Announces Ciba Travel Award To: Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu> *ACS Younger Chemists Committee (YCC) is happy to introduce the Ciba Young Scientist Travel Award!* *Are you presenting research at an upcoming ACS National or Regional Meeting? Would you like $500.00 to help get you there?* *If so, you should apply for an YCC/Ciba Young Scientist Travel Award! * The ACS Younger Chemists Committee (YCC) and the Ciba Foundation are proud to introduce the Ciba Young Scientist Travel Award. The YCC/Ciba Young Scientist Travel Award provides support for young and early-career chemists to travel to and participate in an ACS national or regional meeting. Through this program, the YCC and the Ciba Foundation continue to support development of younger chemists in the chemical sciences. If you are a current ACS member; a US citizen or permanent resident; under the age of 35; a graduate student, post-doc, OR within 7 years of degree completion, you are eligible to apply! *Application and additional information about the YCC/Ciba Young Chemist Travel Award is available at: http://ycc.sites.acs.org/<http://paracom.paramountcommunication.com/ct/4085583:6070409515:m:1:1198326…> * *Applications are due Friday, April 9th, 2010* * * About this e-mail: You are receiving this e-mail because you are an ACS Member. To provide an alternate e-mail address, or for other inquiries, please contact us at: service(a)acs.org or call 800-333-9511; (M-F, 8:30 a.m.-5 p.m. ET). ACS respects your privacy and will not sell, lease, or share your e-mail address with any other organization. ACS will only use e-mail for the purpose of conducting ACS business. American Chemical Society, 1155 16th Street, Northwest, Washington, DC20036 <http://paracom.paramountcommunication.com/phase2/survey1/survey.htm?CID=gte…>

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[Aspuru-Guzik group list] REMINDER: March 30, 2010 - William Tisdale - Excitonics Seminar

by rtavilla＠rle.mit.edu

Center for Excitonics Seminar Series Announcement The Center for Excitonics is an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences The Center for Excitonics invites you to join us at the next seminar of the Spring 2010 series. Please forward this information on to others who might be interested in attending this and other center seminars. Title: Hot Electron Transfer from Semiconductor Nanocrystals Presenter: William Tisdale Organization: Department of Chemical Engineering and Materials Science University of Minnesota Date: March 30, 2010 Time: 3:00 - 4:00pm Place: Haus Room 36-428 Center URL: www.rle.mit.edu/excitonics Seminar URL: www.rle.mit.edu/excitonics/tisdale-033010.html Abstract In conventional semiconductor solar cells, absorption of photons with energies greater than the semiconductor band gap generate “hot” charge carriers that quickly “cool” before all of their energy can be captured – a process that limits device efficiency. Semiconductor nanocrystals (or quantum dots) have been touted as promising materials for photovoltaics because discretization of their electronic energy levels can slow down this cooling process, which might enable the extraction of photogenerated charge carriers before their excess energy is converted to heat. In this talk, I will demonstrate sub-50 fs electron transfer from hot energy levels of PbSe nanocrystals to delocalized conduction band sates of TiO2. In order to make these measurements, we developed the use of optical second harmonic generation for femtosecond time-resolved studies of interfacial charge separation. I will discuss the information we obtain from this technique as well as the effect of temperature, nanocrystal size, and surface chemistry. Additionally, I will show how ultrafast electron transfer excites coherent vibration of the first layer of TiO2 surface atoms, whose collective atomic motions can be followed in real time. Bio Will received his bachelor’s degree in Chemical Engineering (magna cum laude) from the University of Delaware in 2005 and is currently pursuing a Ph.D. in Chemical Engineering at the University of Minnesota under the direction of Professors David Norris, Eray Aydil, and Xiaoyang Zhu (now at the University of Texas – Austin). He is the recipient of an NSF IGERT Fellowship and a University of Minnesota Doctoral Dissertation Fellowship. His research interests lie in the understanding of excited state dynamics near surfaces and interfaces and the application of this understanding toward development of novel photovoltaic technologies.

14 years

[Aspuru-Guzik group list] ACS Abstracts to me due TOMORROW.

by Alan Aspuru-Guzik

Dear all, I want to approve the remaining ACS and/or Pacifichem (for Kenta and Sangwoo) TOMORROW. So please send me by end of business day tomorrow any abstract that you want to send to ACS in Boston or Pacifchem for those QMC people bby TOMORROW. Cheers, A. 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

14 years

[Aspuru-Guzik group list] Important paper by Martin Plenio + Talk registration.

by Alan Aspuru-Guzik

Dear group members, Please see the very relevant and exciting paper by Martin Plenio (DMRG for open systems!) Also, see the announcement below, for the confernece. If you plan to talk or present a poster, please submit using the URL below. A. 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 ---------- Forwarded message ---------- From: Martin Plenio <martin.plenio(a)uni-ulm.de> Date: Sun, Mar 28, 2010 at 11:06 PM Subject: To: Alan Aspuru-Guzik <alan(a)aspuru.com> Dear Alan, please find attached a draft of a paper that we will be submitting soon. Best wishes Martin *From:* Alan Aspuru-Guzik [mailto:alan@aspuru.com] *Sent:* Sonntag, 28. März 2010 12:52 *To:* Anna B. Shin; Robert Silbey *Subject:* Quantum Effects in Biological Systems 2010: Contributed talk submission open. Dear pre-registered QUEBS 2010 participants and invited speakers. *ACCEPTING ABSTRACTS: *We are now accepting abstracts for invited and contributed talks, as well as posters. Please use the link below for submitting your abstract. http://spreadsheets.google.com/embeddedform?formkey=dDFrVDZKNDhrbHdyal9xdWl… *REGISTRATION:* Early next week, I will find out if we got an additional source of funding that will allow me to reduce the price of registrations. As soon as that is known, we will open a registration website where you will be able to deposit via credit card. *LODGING:* For out-of-town participants, we are in booking contract negotiations with a Cambridge-area hotel for a very good rate of $150/night. More on that early next week as well. *CONFERENCE POSTER:* In my next e-mail next week, we will send you a conference poster to distribute and post around your university. *WEBSITE: *I will be updating the website to reflect this information very soon. On behalf of the organizers, Robert Silbey and myself, Alan Aspuru-Guzik 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

14 years

[Aspuru-Guzik group list] CECAM conference travel planning

by Leslie Vogt

Hi Joel, Alejandro, David, I was just talking to Patrick about travel for the CECAM conferences in Dublin and we thought we should all get together to figure out hotel plans. Is everyone free at 1pm on Monday, 3/29? Alan, Anna: If you have any suggestions/restrictions we should know about, please let us know. Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University

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aspuru-list March 2010