aspuru-list April 2010

aspuru-list@lists.fas.harvard.edu

17 participants
74 discussions

[Aspuru-Guzik group list] Bin Chen visit, 4/6-7, Theochem seminar series

by Leslie Vogt

Dear Group, Prof. Bin Chen from Louisiana State University is visiting Harvard this afternoon for the theoretical chemistry seminar series. His talk will be tomorrow: "Towards Understanding the Nucleation Mechanism for Multi-Component Systems: An Atomistic Approach" Prof. Bin Chen Theochem seminar 4 pm MIT, 56-154 Here is a link to his webpage, the talk abstract is at the end of this email. http://chemistry.lsu.edu/chem/facultypages/chen/chen.html His schedule is attached - thanks to all the people who agreed to meet with him today! Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University -------------------------------------------------------- Towards Understanding the Nucleation Mechanism for Multi-Component Systems: An Atomistic Approach Despite decades of intense research efforts, the molecular details of atmospheric nucleation processes have been elusive and highly debated. Although laboratory experiments and field studies have provided important insights in the chemical species that are actively involved in these nucleation processes, there is very little information on the atomic-level structure of critical nuclei. The problem originates from the activated nature of these processes and the inherent difficulty in the direct probing of the critical nuclei as they are transient and their occurrence probabilities are extremely low. This presentation will focus on the recent development of the aggregation-volume-bias Monte Carlo based simulation method and the application of this atomistic approach to the molecular-level characterization of various nucleation processes. Topics will be selected from: (i) multi-component nucleation of water, n-alkane, and alcohols; (ii) ion enhanced nucleation of water; and (iii) extension of this technique to the crystal nucleation in super-cooled clusters.

14 years, 1 month

[Aspuru-Guzik group list] do you have this book?

by Alejandro Perdomo

Dear group, I need to return this book A guide to Feynman diagrams in the many-body problem<http://lms01.harvard.edu/F/CA57AKG8P3R9V5U8F8PH9C9Q6YIHBU774R4EMF84975H9ICH…> by tomorrow:. Does anyone have it? I would appreciate if you get it back to me ASAP. 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, 1 month

[Aspuru-Guzik group list] Meeting with Graham Fleming tomorrow 11.00 AM.

by Alan Aspuru-Guzik

Dear group, This is a reminder that those intersted in meeting with Graham Fleming tomorrow at 11.00 AM should be at the Division Room. Cheers, 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

14 years, 1 month

[Aspuru-Guzik group list] [qip] Tuesday April 6

by Edward Farhi

Dear Quanta On Monday at 4:30 we have a talk by Sandy Irani. She is only around on Monday and will not make the Tuesday meeting. We will meet on Tuesday at 11:00. I am not sure of the agenda. Best, Eddie ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology 6-300 Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

14 years, 1 month

[Aspuru-Guzik group list] grp mtg w/ Graham Fleming, Mon 5 April, 11-11:50am, M217

by Anna B. Shin

Dear Group, Quick update: Alan is meeting with Prof. Fleming from 9:45-11am this Monday, 5 April. Afterward, he would like the group to meet with him until 11:50am. I have reserved M217 from 11am-12pm on Monday for the group to meet w/ Prof. Fleming. Physics needs him back in Lyman for a large lunch meeting at 12pm sharp, so it is critical that your meeting end at 11:50am so he has enough time to walk over. The group meeting w/ Fleming is on the calendar. Thanks! 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 http://aspuru.chem.harvard.edu/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >> Apr 5, 2010 >> 4:15p - 5:15p >> >> Two-Dimensional Electronic Spectroscopy: Coherence, Entanglement >> and Photosynthesis >> Graham Fleming, University of California, Berkeley >> Jefferson 250 >> Tea served in Jefferson 450 @ 3:30 pm >> >> Description Two-dimensional (2D) electronic spectra contain >> information about the combined spatial, energetic and temporal >> landscapes of condensed phase systems. Because they are recorded >> at the amplitude level, they are directly sensitive to the >> presence of quantum coherence. In addition, differing sequences >> of polarizations of the four fields involved can suppress or >> enhance specific features in the spectra. An example is given by >> a sequence which reveals only peaks that have arisen through >> coherence transfer as opposed to population transfer. In this >> talk these ideas will be applied to natural photosynthetic light >> harvesting systems. These pigment-protein complexes contain >> chlorophyll molecules at very high spatial density, leading to >> delocalized excited states. The experiments reveal long-lived >> quantum electronic coherence and substantial coherence transfer >> leading to speculations about the physiological consequences of >> quantum effects, and the potential applications in quantum >> theory. New theoretical methods are required to address these >> questions and a formally exact, reduced hierarchy approach will >> be used to describe the experiments and explore more subtle >> quantum mechanical questions such as the presence of entanglement >> in natural systems. >> Web site: www.physics.harvard.edu <http://www.physics.harvard.edu> >> Contact name: Dayle Maynard >> Contact e-mail: maynard(a)physics.harvard.edu >> <mailto:maynard@physics.harvard.edu> >> Contact phone: 617.495.2872 >> Source Calendar: Physics Monday Colloquia >> >

14 years, 1 month

[Aspuru-Guzik group list] Theochem visit: Bin Chen 4/6

by Leslie Vogt

Dear Aspuruites, Prof. Bin Chen is visiting next Tuesday (4/6) as the theochem speaker. He will be talking about nucleation events (see abstract below). If you are interested in speaking with him for 15-30 min in the afternoon, I would really appreciate your time - there is even space for dinner! Please let me know if you can meet with Prof. Chen by Monday, noon. Thanks, Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University -------------------------------------------------------- Towards Understanding the Nucleation Mechanism for Multi-Component Systems: An Atomistic Approach Despite decades of intense research efforts, the molecular details of atmospheric nucleation processes have been elusive and highly debated. Although laboratory experiments and field studies have provided important insights in the chemical species that are actively involved in these nucleation processes, there is very little information on the atomic-level structure of critical nuclei. The problem originates from the activated nature of these processes and the inherent difficulty in the direct probing of the critical nuclei as they are transient and their occurrence probabilities are extremely low. This presentation will focus on the recent development of the aggregation-volume-bias Monte Carlo based simulation method and the application of this atomistic approach to the molecular-level characterization of various nucleation processes. Topics will be selected from: (i) multi-component nucleation of water, n-alkane, and alcohols; (ii) ion enhanced nucleation of water; and (iii) extension of this technique to the crystal nucleation in super-cooled clusters.

14 years, 1 month

[Aspuru-Guzik group list] [iic-colloquium] IIC Colloquium April 7: "A Dynamical Systems Approach to Turbulence--Challenges for HPC" with Bruce Boghosian

by Rosalind Reid

You are cordially invited to the next IIC Colloquium April 7. ********************* A Dynamical Systems Approach to Turbulence: Challenges for High- Performance Computing April 7, 2010, 4:00 pm Room G-125, Maxwell Dworkin, 33 Oxford Street, Cambridge (*note room change*) Bruce Boghosian, Professor and Chair of Mathematics, Tufts University Abstract Turbulence is sometimes called the "last unsolved problem of classical mechanics." While it has long been understood that the details of turbulent flow are essentially unpredictable beyond a number of Lyapunov times, owing to the so-called "butterfly effect," there remains hope of a comprehensive statistical description of turbulence. Two developments in dynamical systems theory over the past 20 years provide solid foundation for that hope. The first is the observation, placed on firm foundation in the 1980s, that Navier-Stokes flow has a finite-dimensional attracting set of states. The second is the development of the dynamical zeta function formalism by Ruelle, and its deployment by Cvitanovic, Pollicott, Eckhardt, Yorke and others, enabling statistical descriptions of chaotic dynamical systems, given knowledge of their unstable periodic orbits (UPOs). For this reason, the efficient numerical computation of UPOs has gained great importance over the past decade, in both the dynamical systems and turbulence literature. Periodic orbits for high-dimensional state spaces are devilishly difficult to calculate, requiring high- performance computing and placing new demands on algorithms, accuracy and hardware. This talk will discuss some of these computational challenges and demonstrate the successful computation of UPOs of driven Navier-Stokes turbulence in two and three spatial dimensions. About the speaker Professor Boghosian is Professor and Chair of the Department of Mathematics at Tufts University. He additionally holds an adjunct professorship in Computer Science there. His research interests center on theoretical and computational fluid dynamics, with emphasis on variational principles for fluids, the problem of turbulence, the visualization of fluid flow, and scientific applications of high performance computing and grid computing. He has held visiting positions at the École Normale Supérieure, Peking University, University College London, the University of California, Berkeley and Davis, the International Centre for Theoretical Physics (Trieste, Italy), and the Massachusetts Institute of Technology. He is a Fellow of the American Physical Society and a Foreign Member of the National Academy of Sciences of the Republic of Armenia. He has authored or coauthored more than 60 articles and given more than 130 invited talks. --------------- Refreshments will be served at 3:45 pm. Mark your calendar for these upcoming IIC Colloquia: Wednesday, Apr. 14: Frank Baetke, High Performance Computing, Hewlett Packard Wednesday, Apr. 21: Pavlos Protopapas, Harvard-Smithsonian Center for Astrophysics and IIC/SEAS 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, 1 month

[Aspuru-Guzik group list] TODAY at 4 pm: Sustainable Energy -- Without the Hot Air

by Center for the Environment

Finding secure, safe and reliable sources of energy to power world economic growth will be one of the great challenges of this century. The Harvard University Center for the Environment invites the Harvard community to take up the challenge by participating in this ongoing series of discussions. THE FUTURE OF ENERGY Spring 2010 David MacKay, Chief Scientific Advisor to the Department of Energy and Climate Change, UK "Sustainable Energy - Without the Hot Air" TODAY 4:00 pm Harvard University Northwest Labs - B103 52 Oxford Street, Cambridge How easy is it to get off our fossil fuel habit? Could typical developed countries live on their own renewable energy sources? What do the fundamental limits of physics say? How does our current energy consumption compare with our sustainable energy options? This talk will offer a straight-talking assessment of the numbers, and discuss how to make energy plans that add up. David MacKay, author of Sustainable Energy – Without the Hot Air, is Chief Scientific Advisor to the Department of Energy and Climate Change, UK and a Professor in the Department of Physics at the University of Cambridge. He studied Natural Sciences at Cambridge and then obtained his PhD in Computation and Neural Systems at the California Institute of Technology. He returned to Cambridge as a Royal Society research fellow at Darwin College. He is internationally known for his research in machine learning, information theory, and communication systems, including the invention of Dasher, a software interface that enables efficient communication in any language with any muscle. He has taught Physics in Cambridge since 1995. Since 2005, he has devoted much of his time to public teaching about energy. He is a Fellow of the Royal Society and a member of the World Economic Forum Global Agenda Council on Climate Change. For a copy of the book, go to: http://www.withouthotair.com/ The Future of Energy lecture series is sponsored by the Harvard University Center for the Environment with generous support from Bank of America. All of the lectures are free and open to the public. View detailed lecture information at www.environment.harvard.edu. 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 *|LIST:Future of Energy|* [2]Unsubscribe aspuru-list(a)lists.fas.harvard.edu from this list. Links: 2. http://harvard.us1.list-manage.com/unsubscribe?u=7532d1fbf18f39219ac742ebe&… Our mailing address is: 24 Oxford St. Cambridge, MA 02138 T: (617) 495-0368 www.environment.harvard.edu Copyright (C) 2008 Harvard University. All rights reserved. [3]Forward this email to a friend Links: 3. http://us1.forward-to-friend.com/forward?u=7532d1fbf18f39219ac742ebe&id=e3c…

14 years, 1 month

[Aspuru-Guzik group list] Free books from Cabot Science Library

by Joel Yuen

Dear all The Cabot Science Library is giving out free old books today, tomorrow, and I believe also on Saturday. David, Patrick, and I went there and practically got all the physics books, which consist on about 40 different titles from Bogoliubov, Fano, Ehrenfest, Heitler, Slater, Hirschfelder, and many others. We have distributed among the three different offices, with the idea that everyone can have access to them. Hopefully they will be useful or at least will be nice to read from. In case someone is interested, there are several copies of Organic and Biochemistry textbooks from the 80s and 90s still in the library. Best, Joel.

14 years, 1 month

[Aspuru-Guzik group list] ANNOUNCEMENT: April 15, 2010 - Patanjali Kambhampati - 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: State-Resolved Exciton Dynamics in Quantum Dots Presenter: Patanjali Kambhampati Organization: Department of Chemistry, McGill University Date: April 15, 2010 Time: 3:00 - 4:00pm Place: 34-401A (Grier A) Center URL: www.rle.mit.edu/excitonics Seminar URL: www.rle.mit.edu/excitonics/patanjali-041510.html Abstract The semiconductor quantum dot is one of the canonical systems in nanoscience. Whereas the nanometer size of these materials is obvious, the richer and more meaningful issue is the presence of quantum confinement effects conferred by virtue of size. One may qualitatively describe quantum dot electronic structure like the textbook particle in a sphere. However, this simple picture misses the vast majority of the processes which ultimately control the functionality of the quantum dot. Our goal is to obtain a detailed picture of the rich inner workings of the quantum dot. We introduce a mixed time/frequency domain ultrafast spectroscopic approach which we denote State-Resolved Exciton Dynamics. We have applied this approach to resolve several long standing issues central to quantum dot science: 1) Hot exciton relaxation dynamics: radiationless transitions on the nanoscale 2) Optical gain: recovering predictions from theory and revealing new physics 3) Electronic structure of multiexcitons: creation of an artificial periodic table 4) electron-phonon interactions: quantizing piezoelectricity The power of this approach is reflected by our ability to predict aspects of unrelated experiments, e.g. single dot blinking and multiple exciton generation. In addition to the basic science of excitons in nanoscale materials, these fundamental results have advanced the design principles for a broad range of applications including: LEDs, lasers, solar cells, THz radiation sources, piezoelectrics, and non-classical light. Bio Patanjali Kambhampati received a B.A. in Chemistry from Carleton College in 1992, and a Ph.D. in Chemistry from the University of Texas at Austin in 1998. His doctoral work focused on ultra-high vacuum surface studies of adsorbate-substrate charge transfer excitations and surface enhanced Raman scattering under the supervision of Alan Campion. From 1999 – 2001 he was a Postdoctoral Associate with Paul Barbara, also at the University of Texas at Austin. His postdoctoral work focused on femtosecond laser spectroscopy of condensed phase chemical dynamics of the solvated electron and intramolecular electron transfer. From 2001 – 2003 he was involved in early phase work in a fiber optic startup based in Los Angeles. At McGill University, where his group focuses on ultrafast dynamics in quantum dots, he was an Assistant Professor from 2003 – 2009 and is presently an Associate Professor.

14 years, 1 month

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aspuru-list April 2010