aspuru-list November 2009

aspuru-list@lists.fas.harvard.edu

18 participants
51 discussions

[Aspuru-Guzik group list] Angel Rubio Schedule

by tempel＠physics.harvard.edu

Dear Group, Angel Rubio will be visiting with us tomorrow. There are several spots available for lunch with him at noon, so please let me know if you would like to go to lunch. His schedule for the day is pretty wide open, so let me know if you would like to meet with him and when. David

14 years, 5 months

[Aspuru-Guzik group list] REMINDER: Nov. 11, 2009 - Prof. Angel Rubio-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 2009 series. Please forward this information on to others who might be interested in attending this and other center seminars. Title: Theoretical Spectroscopy of Low Dimensional Systems Presenter: Professor Angel Rubio Organization: Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Pais Vasco UPV/EHU and Centro Mixto CSIC-UPV/EHU Date: November 11, 2009 Time: 2:00 - 3:00pm Place: Harvard University Pfizer Hall - Mb-23 12 Oxford Street Cambridge Center URL: http://www.rle.mit.edu/excitonics Seminar URL: http://www.rle.mit.edu/excitonics/rubio-111109.html Abstract There has been much progress in the synthesis and characterization of nanostructures however, there remain immense challenges in understanding their properties and interactions with external probes in order to realize their tremendous potential for applications (molecular electronics, nanoscale opto-electronic devices, light harvesting and emitting nanostructures). In this talk I will review the recent advances within density-functional based schemes to describe the excite state properties of low-dimensional structures (semiconducting nanostructures and biomolecules) including both electron and ionic degrees of freedom. We will address both the linear and non-linear response regimes. We will describe a new method to address the electron-ion dynamics within the Ehrenfest scheme where no explicit orthogonalization is necessary and we can increase of the time step while keeping the system close to the Born-Oppenheimer surface. The method is easily implemented and scales very well with the system size. Applications to the excited state dynamics in some organic molecules will be used as test cases to illustrate the performance of the approach. In particular we will show the effect of electron-hole attraction in those systems. Pros and cons of present functionals will be highlighted and provide insight in how to overcome those limitations by using many-body perturbation theory (i.e. GW based self-energy approaches including excitonic effects at the Bethe-Salpeter level). The present developments constitute a basic ingredient for the development of the European Theoretical Spectroscopy Facility. Work done in collaboration with A. Castro, M. Marques, X. Andrade, J.L Alonso, Pablo Echenique, L. Wirtz, A. Marini, M. Gruning, C. Rozzi, D. Varsano and E.K.U. Gross. Bio Angel Rubio is a Professor of Condensed Matter Physics in the Department of Materials of the Faculty of Chemistry in the Basque Country University (UPV/EHU), Scientific Vicepresident of the European Theoretical Spectroscopy Facility, and Distinguished Visiting Scientist at the Fritz Haber Institute der Max-Planck-Gesellschaft, Berlin . His research activity in the fields of theory and modeling of electronic and structural properties in condensed matter and on developing novel theoretical tools and computational codes to investigate the electronic response of solids and nanostructures to external electromagnetic fields is internationally recognized and he hasreceived numerous honors and awards. Among them we would like to mention National Prize for the best Spanish undergraduate student of Physics (1989), faculty honor prize for the best PhD thesis in Physics (1992), Royal Spanish Physical Society Prize “Outstanding young researchers” (1992); Fulbright Fellow (1993); 2001 JSPS Invitation Fellow Program for Research in Japan; 2004 Sir Allan Sewell Fellowship School of Science, Griffith University, Australia; 2004 Fellow of the American Physical Society: Materials Science Division; 2005 Friedrich Wilhelm Bessel Research Award, Humboldt Foundation, Germany; DuPond Prize on Science, 2006. Rubio has an excellent publication record (Hirsch index 52). He is the Editor of three books two about nanotechnologies. ergydrade, J.L Alonso, Pablo Echenique, L. Wirtz, A. Marini, M. Gruning, C. Rozzi, D. Varsano and E.K.U. Gross.

14 years, 5 months

[Aspuru-Guzik group list] TGIF hosting - Friday, 11/20

by Leslie Vogt

Hi everyone, Our group is in charge of hosting this month's TGIF event on Fri. Nov 20. I need three volunteers to organize this (very easy!). Steps are: 1) order beer/cider (talk to Jason Beiger) 2) Get snacks and sodas (from Costco tomorrow with Anna??) 3) Put ice in trash cans on 11/20 and get the kegs from delivery guy 4) Enjoy beer at TGIF If someone has a great idea for a theme, feel free to share (but this is not necessary). If no one volunteers, I will ambush people from our group in the hallway and sign them up to help. Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University

14 years, 5 months

[Aspuru-Guzik group list] [iic-colloquium] IIC Colloquium Nov. 19: "Link or Die" with Joe Futrelle

by Rosalind Reid

You are cordially invited to next Thursday's IIC Colloquium. NOTE: We have changed the date, time and venue of this talk to avoid a conflict with another event. A sandwich lunch will be provided. ************* Data Is the Network: Link or Die November 19, 12 noon Room 100F, Pierce Hall, 29 Oxford Street, Cambridge Joe Futrelle Cyberenvironments and Technologies, National Center for Supercomputing Applications Abstract In a world now dominated by social networking and wireless communication, most scientific information remains stubbornly locked up in specialized databases, institutional repositories and domain- specific applications. New strategies are needed to free all of this information from the rigid containers, frameworks and work processes in which it is born and increasingly dies. In particular, software engineering must be rethought so that interoperability, openness, and extensibility are designed into data structures. Can data be organized as an active, evolving, open network of heterogeneous concerns and affordances, free of the control of any single software agent or framework? Joe Futrelle will describe promising new opportunities making data radically portable and worthy of long-term preservation and access, drawing on several projects in the "semantic grid," e- science, and digital preservation communities. Bio Joe Futrelle has been working for over a decade at the National Center for Supercomputing Applications to increase access to and improve the quality of shared collections of scientific and cultural information through the application of digital library and semantic web technologies and techniques. Futrelle's software tools for distributed search, metadata harvesting, and semantic content management have been used in a variety of scientific and cultural domains including astronomy, biology, medicine, education, seismology, earthquake engineering, research administration, music, history, and environmental hydrology. Futrelle's research focuses on building semantic data models and associated software that can harness network effects in order to create living, evolving knowledge spaces capable of linking and merging information across disicplinary, institutional, temporal, and geographic boundaries. These emerging knowledge spaces can support the systems-scale interdisciplinary science required to meet some of the greatest challenges of our time, as well as ensuring that the valuable fruits of such research can be preserved and used indefinitely in an era of rapid technological obsolescence. --------------- Refreshments will be served at 11:45 pm. Mark your calendar for the upcoming IIC colloquium: Dec. 2, 4:00 pm: Griffin Weber, Chief Technology Officer, Harvard Medical School 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] Angel Rubio seminar

by Anna B. Shin

Dear Group, Prof. Angel Rubio will be presenting the Excitonics seminar here at Harvard at *2pm this Wed 11 Nov* in Pfizer Lecture Hall. Alan wants everyone to attend his talk. There will be light refreshments at 1:45pm. See you there! Best, Anna Anna B. Shin Laboratory Administrator Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617.496.9964 office 617.694.9879 cell 617.496.9411 fax 617.495.9676 lab http://aspuru.chem.harvard.edu/

14 years, 5 months

[Aspuru-Guzik group list] REMINDER: Nov. 10, 2009 - Prof. Greg Engel-Excitonics Seminar

by rtavilla＠rle.mit.edu

14 years, 5 months

[Aspuru-Guzik group list] Reminder: Today at 2:30 pm -- Climate Change Arctic Symposium

by Center for the Environment

Climate Change: A Perspective from the Arctic A symposium at Harvard University in coordination with a meeting of the U.S. Arctic Research Commission Monday, November 9 2:30 - 6:00 pm Northwest Science Building Room B101 52 Oxford Street Cambridge 2:30 Introduction and welcome Daniel P. Schrag (Director, Harvard University Center for the Environment) Mead Treadwell (Chair, U.S. Arctic Research Commission) 2:45 "Climate Change and the Arctic" James J. McCarthy (Harvard University) 3:20 "Past Lessons for the Future of the Arctic" Richard B. Alley (The Pennsylvania State University) Konrad A. Hughen (Woods Hole Oceanographic Institution) Peter Huybers (Harvard University) 4:45 Break 5:00 "Watching Greenland as the Arctic Warms" Sarah B. Das (Woods Hole Oceanographic Institution) James G. Anderson (Harvard University) 6:00 Conclusion Daniel P. Schrag and James J. McCarthy This symposium is free and open to the public. Sponsored by the Harvard University Center for the Environment. -- Contact: Lisa Matthews Events Coordinator Harvard University Center for the Environment 24 Oxford Street Cambridge, MA 02138 lisa_matthews(a)harvard.edu p. 617-495-8883 f. 617-496-0425 ============================================== You are receiving this email because you indicated interest in Harvard University Center for the Environment events. Unsubscribe aspuru-list(a)lists.fas.harvard.edu from this list: http://harvard.us1.list-manage.com/unsubscribe?u=7532d1fbf18f39219ac742ebe&… Our mailing address is: Harvard University Center for the Environment 24 Oxford St. 3rd floor Cambridge, MA 02138 Our telephone: (617) 495-0368 Forward this email to a friend: http://us1.forward-to-friend.com/forward?u=7532d1fbf18f39219ac742ebe&id=fe1… Update your profile: http://harvard.us1.list-manage.com/profile?u=7532d1fbf18f39219ac742ebe&id=5…

14 years, 5 months

[Aspuru-Guzik group list] paper of interest

by Alejandro Perdomo

*Unraveling the Inhomogeneously Broadened Absorption Spectrum of Conjugated Polymers by Single-Molecule Light-Harvesting Action Spectroscopy * * Manfred J. Walter and John M. Lupton Physical Review Letters <http://prl.aps.org/> 103,167401 (2009)<http://link.aps.org/abstract/PRL/v103/e167401> * http://scitation.aip.org.ezp-prod1.hul.harvard.edu/getabs/servlet/GetabsSer… -- Alejandro Perdomo Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

14 years, 5 months

[Aspuru-Guzik group list] Visual but not trigeminal mediation of magnetic compass information in a migratory bird

by J D Whitfield

Hi group, Thought the quantum biologist in our group might be interested in this controversial finding. http://www.nature.com/nature/journal/v461/n7268/abs/nature08528.html 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

[Aspuru-Guzik group list] Angela Belcher Talk - Today, Pierce 209, 4pm

by Leslie Vogt

Hi Aspuru Group people, Here is a talk by Angela Belcher that might be of interest - I just saw the flier today... Pierce 209 4:00pm TODAY http://www.seas.harvard.edu/news-events/calendars/applied_physical_sciences… Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University

14 years, 5 months

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aspuru-list November 2009