aspuru-list May 2009

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20 participants
49 discussions

[Aspuru-Guzik group list] Group meeting tomorrow: 11AM in M102

by Alejandro Perdomo

Tomorrow we will have Nicholas who will present his last group meeting as an Aspuruzian before departing for warm CA. See you all there. -A -- Alejandro Perdomo Ph.D. Candidate in Chemical Physics. Harvard University 12 Oxford St #482, Cambridge, MA, 02138. perdomo(a)fas.harvard.edu

14 years, 12 months

[Aspuru-Guzik group list] CCB Student/Postdoc Seminar Series this Friday at 12.15 pm

by Shu Sin Chng

Dear faculty, Please have an early lunch and join us for the following talks this and next week. Please strongly encourage your students/postdocs to come to these talks. Each talk will last 20 min. THIS FRIDAY (Oct 24), 12.15-1.15 pm, Pfizer LH Speaker: Stephan Zuend, Jacobsen Lab Talk title: Stabilization of iminium ions by amides and sulfinamides: fundamental studies and practical applications in small-molecule asymmetric catalysis Speaker: Paul Choi, Xie Lab Talk title: A stochastic single-molecule event triggers phenotype switching in a bacterial cell NEXT FRIDAY (Oct 31), 12.15-1.15 pm, Pfizer LH Speaker: Walter Kowtoniuk, Liu Lab Talk title: A chemical screen for biological small molecule-RNA conjugates reveals coenzyme A-modified RNA Speaker: Paul Bracher, Whitesides Lab Talk title: Chemistry on the prebiotic earth Refreshments and snacks will be provided at noon outside Pfizer. See you there! CCB Student/Postdoc Seminar Series

14 years, 12 months

[Aspuru-Guzik group list] HUCE Weekly Calendar Update May 7 - 21

by Center for the Environment

Highlights: Today at 4:30: Celebrate "Cultures in Common" -- the many ways in which the science and humanities, the social sciences, the arts, the law, and engineering and applied sciences work together for responsible education, research, and problem solving. Wednesday, May 13: Join Meg Jacobs for her Radcliffe Institute Fellows Presentation, "Panic at the Pump: The Energy Crisis and the Challenges of Conservative Governance Since the 1970s" where she will discuss her research on how politicians and policymakers have attempted to address a national crisis without expanding the role of government in the marketplace. Tuesday, May 19: Yongzhen Yu, a visiting scholar of the Energy Technology Innovation Policy Program at the Harvard Kennedy School, discusses how Demand Side Management (DSM) is one of the best and most practical policy tools for China to balance environmental protection and economic growth. Calendar Listings: Thursday 5/7/2009 3:00p Fusion: Energy for the Future? (HUCE Seminar room, 24 Oxford St. 3rd floor, Cambridge, MA) Anthony J. Webster, Euratom/UKAEA Fusion Association, United Kingdom. 4:30p - 6:30p Opening Panel -- Cultures in Common: 50 Years of Reflection on Science, Technology, and Society (Maxwell-Dworkin Lessin Room, G115, 33 Oxford Street, Cambridge, MA) Bringing together a distinguished roster of speakers that will explore the many ways in which the cultures of science are in constant conversation with the cultures of the humanities, the social sciences, the arts, the law, and engineering and applied sciences. Contact: www.hks.harvard.edu/sts/events/twocul... Friday 5/8/2009 8:30a Microbial Sciences Friday Chalktalk (HUCE Seminar Room, 24 Oxford St., 3rd Floor, Cambridge, MA) Josh Blodgett, MSI Postdoctoral Fellow, Harvard Medical School - Dept of BCMP, Clardy Lab. Contact: Runal Mehta, runal_mehta(a)harvard.edu, www.msi.harvard.edu/fridays.html 9:00a - 5:30p Workshop -- Cultures in Common: 50 Years of Reflection on Science, Technology, and Society (Bell Hall, 5th Floor Belfer Building, 79 JFK St., Cambridge) Exploring the many ways in which the cultures of science are in constant conversation with the cultures of the humanities, the social sciences, the arts, the law, and engineering and applied sciences. Registration required. Contact: Lauren Schiff, Lauren_Schiff(a)harvard.edu, www.hks.harvard.edu/sts/events/twocul... 11:00a Harvard Forest Seminar Series (Seminar Room at Shaler Hall, Harvard Forest, 324 North Main Street, Petersham, MA) "Insights from experimental manipulation and management of Massachusetts coastal plain grasslands and shrublands." Chris Neill, the Ecosystems Center, Marine Biological Laboratory. Contact: Audry Barker Plotkin, aabarker(a)fas.harvard.edu, 978-724-3302 x 268, harvardforest.fas.harvard.edu/researc... 2:30p - 4:30p MIT Seminar on Environmental and Agricultural History (Building E51, Room 095, MIT, Cambridge, MA) "Empires of Energy 1580-1980: Fossil Fuels and Geopolitics." John McNeill, Professor of History, Georgetown University. Contact: Margo Collett, mcollett(a)mit.edu Saturday 5/9/2009 11:30a - 2:00p Solutions for a sustainable future (Ticknor Lounge, Boylston Hall, Harvard Yard, Cambridge, MA) Learn about cutting edge solutions for sustainable development and how to become a leader in the transition we find ourselves in today. Contact: www.may9th.org Monday 5/11/2009 11:30a Harvard Energy Journal Club (HUCE Seminar room, 24 Oxford St. 3rd floor, Cambridge, MA) Visit the Energy Journal website for current topics of discussion. Contact: Mark Winkler, mwinkler(a)fas.harvard.edu, www.hcs.harvard.edu/hejc/ 6:00p - 7:30p MIT Museum Soap Box Series: Energy (MIT Museum, N51, 265 Massachusetts Ave., Cambridge, MA) "Nanoscale Engineering for High Performance Solar Cells." Vladimir Bulovic, KDD Associate Professor of Communications and Technology, Department of Electrical Engineering and Computer Science, MIT. Contact: museuminfo(a)mit.edu, mit.edu/museum/programs/soapbox.html Wednesday 5/13/2009 3:30p Radcliffe Institute Fellows' Presentation Series (Radcliffe Gymnasium, 10 Garden St., Radcliffe Yard, Cambridge, MA) "Panic at the Pump: The Energy Crisis and the Challenges of Conservative Governance Since the 1970s." Meg Jacobs, Jeanne Rosselet Fellow, History, Massachusetts Institute of Technology. Contact: www.radcliffe.edu/events/fellows.aspx... 6:00p - 7:00p The Carbon Market (NEXUS, 38 Chauncy St., 7th Floor, Boston, MA) Discussion of the development of the global carbon market over the last 5 years, including Kyoto, the Clean Development Mechanism (CDM), and their impact on the development of a U.S. carbon market. Contact: bostonegb.ning.com Thursday 5/14/2009 12:00p - 1:00p Stockholm Environmental Institute Seminar (SEI, 11 Curtis Ave, Somerville, MA) "Future Stability of Antarctic and Greenland Ice Sheets and Its Global Implications: Answers from the past." Sebastian Koenig, Climate System Research Center at the University of Massachusetts, Amherst. Contact: www.sei-us.org/events.html 3:30p China Project Seminar (Pierce Hall 100F, 19 Oxford St., Cambridge, MA) "Environmental Complaints in China 1992-2006: A Provincial-Level Analysis." Dr. Martin Dimitrov, Assistant Professor, Department of Government, Dartmouth College. Contact: Chris Nielsen , nielsen2(a)fas.harvard.edu 6:00p Microbial Sciences Initiative Thursday Evening Seminar Series (HUCE Seminar Room, 24 Oxford St., 3rd Floor, Cambridge, MA) "Managing the Mutant Microbe Within: Mitochondrial-nuclear epistasis for fitness and disease in Drosophila." David Rand, Brown University Professor of Biology. Contact: Christy Herren, herren(a)fas.harvard.edu, (617) 495 8643, www.msi.harvard.edu/thursdays.html 7:00p Reaching Sustainability in the Existing Built Environment (First Parish Church, 3 Church St., Cambridge) An exchange of ideas on how we can reach true energy efficiency in our built environment. Contact: info(a)basea.org, www.basea.org Friday 5/15/2009 10:00a - 2:00p Somerville Living Green Festival (Somerville High School, 81 Highland Ave., Somerville, MA) Step up your sustainability through amazing hands-on workshops and demonstrations: healthy cooking, bike repair, home gardening, insulation, and more; electric and biodiesel cars and bikes. Contact: www.somervilleclimateaction.org/web/lgf Saturday 5/16/2009 11:00a HMNH Special Event: Walking Tour of the Trees of Harvard (Harvard Museum of Natural History, 26 Oxford Street, Cambridge, MA) Take a walk around Harvard Yard with experts from the Harvard Herbaria and learn about the natural history of Harvard's arboreal treasures. Contact: hmnh-lectures(a)oeb.harvard.edu, 617.384.8309 Sunday 5/17/2009 2:00p Harvard Museum of Natural History Family Program (HMNH, 26 Oxford St., Cambridge, MA) "Under New England: The Story of New England’s Rocks and Fossils." Charles Ferguson Barker. Contact: hmnh(a)oeb.harvard.edu, www.hmnh.harvard.edu/family_programs/... Monday 5/18/2009 11:30a Harvard Energy Journal Club (HUCE Seminar room, 24 Oxford St. 3rd floor, Cambridge, MA) Visit the Energy Journal website for current topics of discussion. Contact: Mark Winkler, mwinkler(a)fas.harvard.edu, www.hcs.harvard.edu/hejc/ Tuesday 5/19/2009 9:00a - 5:00p Alternative Energy and Building Efficency '09: Conference and Exhibition (Hynes Convention Center, 900 Boylston St., Boston, MA) For all building, architecture, design, facilities management, and energy management professionals. Contact: Ken Cardelle, kcardelle(a)AlternativeEnergyShows.com, 860-707-2770, www.AlternativeEnergyShows.com 9:30a - 11:00a Energy Technology Innovation Policy Seminar Series (Belfer Center Library, Littauer 369, 79 JFK St., Harvard Kennedy School, Cambridge, MA) "Energy Demand Management." Yongzhen Yu, ETIP Visiting Scholar. Contact: www.belfercenter.org/energy 6:00p - 7:30p MIT Museum Soap Box Series: Energy (MIT Museum, N51, 265 Massachusetts Ave., Cambridge, MA) "Luminescent Solar Concentrators Explained." Marc Baldo, Esther and Harold E. Edgerton Associate Professor of Electrical Engineering, Department of Electrical Engineering and Computer Science, MIT. Contact: museuminfo(a)mit.edu, mit.edu/museum/programs/soapbox.html Wednesday 5/20/2009 9:00a - 5:00p Alternative Energy and Building Efficency '09: Conference and Exhibition (Hynes Convention Center, 900 Boylston St., Boston, MA) For all building, architecture, design, facilities management, and energy management professionals. Contact: Ken Cardelle, kcardelle(a)AlternativeEnergyShows.com, 860-707-2770, www.AlternativeEnergyShows.com 1:30p Solid Earth Physics Seminar Series (TBA) Eric Geist, U.S. Geological Survey, Menlo Park, California. Title TBA. Contact: esag.harvard.edu/rice/SOLID.EARTH.SEM... Thursday 5/21/2009 9:00a - 5:00p Disrupting the Status Quo in Electric Energy Management: A Systems Approach to a Sustainable Energy Future ( Boston University, 8 St. Mary's Street, Brookline, MA) Solutions to sustainable energy management, combining new network infrastructure with technological breakthroughs, like wind generation or electric hybrid vehicles, may mean pulling the plug on how things are done today. Contact: Elizabeth Flagg, se(a)bu.edu , 617.358.0351 , www.bu.edu/systems/news/special-05210... ---- Always check the calendar on the website for updated information. If you would like to submit an event to the calendar, contact Lisa Matthews at the Center for the Environment: lisa_matthews(a)harvard.edu. Feel free to distribute this email to your students, faculty, colleagues, and anyone else who may be interested in environmental events around the community. ============================================== 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.list-manage.com/unsubscribe?u=7532d1fbf18f39219ac742ebe&id=5… 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://forward-to-friend.com/forward?u=7532d1fbf18f39219ac742ebe&id=2368480… Update your profile: http://harvard.list-manage.com/profile?u=7532d1fbf18f39219ac742ebe&id=5bea9…

14 years, 12 months

[Aspuru-Guzik group list] Special Seminar: Kieron Burke, May 11, 4pm in the Division Room

by Semion Saikin

Dear Theory Groups, We have a special departmental seminar on Monday, May 11 at 4pm in the Division Room, M102. SPEAKER: KIERON BURKE Departments of Chemistry and of Physics, UC Irvine. TITLE: "Density functional theory of open systems and current transport through single molecules" ABSTRACT: This talk is about theory, how it works, and where it fails. I will briefly review density functional theory, both of the ground state and for time-dependent problems. Then I will discuss the sorry state of DFT calculations of current through single molecules. Finally, I will discuss a development of DFT to couple it to open quantum systems, and its relevance to the transport problem. TIME AND LOCATION: May 11, 4-5 pm 12 Oxford Street, Mallinckrodt 102 Thank you, Semion ******************************************** Semion K. Saikin Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Cambridge, MA 02138 email: saykin(a)fas.harvard.edu phone: (619)212-6649 ********************************************

14 years, 12 months

[Aspuru-Guzik group list] GPGPU cluster online.

by Alan Aspuru-Guzik

Dear group, The CDI cluster is up so we have our new cluster on! The queue is "gpgpu" in Odyssey. Can you guys start developing and testing in it as well? Kenta: We can start compiling the QMC version of QMCPack as well. 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, 12 months

[Aspuru-Guzik group list] Fwd: Job opening at ITT/AFRL

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: marco lanzagorta <marcolanz1967(a)yahoo.com> Date: Tue, May 5, 2009 at 11:31 AM Subject: Job opening at ITT/AFRL To: Alan Aspuru-Guzik <alan(a)aspuru.com> Hi Alan, There is a job opening for a comptuer scientist with modeling/sim skills and knowledge of quantum computing w/ emphasis on computational skills versus physical... a Masters degree and US Citizenship are required. This job is under an ITT contract to support the operations of the Air Force Research Laboratory in Rome, NY. Also, I am looking for a summer intern, graduate as a preference, but can be an undergraduate. The work would be in the area of quantum information. Also, US Citizenship is required. Any candidates from your group? If not, can you please pass along the information to whoever you think may have people interested in these positions? Thanks, Marco

14 years, 12 months

[Aspuru-Guzik group list] Grover search

by James D Whitfield

Hi, On Thursday at 1 PM, we will have brief discussion on Grover's search algorithm for those interested. JDW James 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, 12 months

[Aspuru-Guzik group list] NNIN use

by Michael Stopa

14 years, 12 months

Re: [Aspuru-Guzik group list] [G3] GPC Senate Nomination Reminder

by Leslie Vogt

Jason, I am the Aspuru-Guzik representative. Leslie -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University On Mon, May 4, 2009 at 12:49 PM, Jason Beiger <jbeiger(a)fas.harvard.edu>wrote: > Hello Everyone! > The following groups have not indicated to me their selection for GPC > representative: > > Anderson > Aspuru-Guzik > Gordon > Holm > Lieber > O'Shea > Shair > Verdine > Xie > Zhuang > > If your group is listed, please nominate at least one person (graduate > student or postdoc) to be your group's GPC representative and send me their > information before this Wednesday's meeting. > > Thank you for your cooperation! > > Jason > > > > Begin forwarded message: > > *From: *Matthew Shair <shair(a)chemistry.harvard.edu> > *Date: *March 30, 2009 2:38:58 PM EDT > *To: *gradstudents(a)chemistry.harvard.edu, postdocs(a)chemistry.harvard.edu, > Faculty <faculty(a)chemistry.harvard.edu> > *Cc: *Tony Shaw <shaw(a)chemistry.harvard.edu>, Carol Gonzaga < > carol(a)chemistry.harvard.edu> > *Subject: **[G3] GPC Senate* > > Dear Students and Faculty: > > In order to ensure more thorough representation of all research groups on > the GPC (Graduate Student-Postdoctoral Committee), we would like to > institute a senate-like system. Each group should nominate one graduate > student or postdoc to attend each of the GPC meetings. These meetings are > the first Wednesday of each month at 12:00 PM in the department center > (pizza served). I suggest that each group have GPC representative as a > group job. By having more equitable representation, we hope that the needs > of each group are heard and met. > > It is fine if more than one student from each group would like to attend > GPC meetings, but at least one from each group should be present. Once each > group has nominated a GPC representative, please email Jason Beiger ( > jbeiger(a)fas.harvard.edu) with your name and group. We would like to have > this in place by the May 6th GPC meeting. > > Best Regards, > > Matt > > > Matthew D. Shair > Professor > Department of Chemistry and Chemical Biology > Harvard University > 12 Oxford Street > Cambridge, MA 02138 > > v: 617-495-5008 > f: 617-496-4591 > > http://www.chem.harvard.edu/research/faculty/matthew_shair/home.html > > > > _______________________________________________ > G3 mailing list > G3(a)chem.harvard.edu > http://chem.harvard.edu/mailman/listinfo/g3 > >

14 years, 12 months

[Aspuru-Guzik group list] [iic-colloquium] IIC Colloquium-Todd Martinez, Wednesday May 6 at 4:00pm; Quantum Chemistry and First Principles Dynamics on GPUs

by Pavlos Protopapas

IIC Colloquium - Quantum Chemistry and First Principles Dynamics on GPUs May 6, 2009; 4:00pm 60 Oxford Street, Room 330 Todd Martinez, Professor of Chemistry, Stanford University Abstract Quantum chemistry represents the solution of the electronic Schrödinger equation for a set of nuclei and electrons. Once this equation is solved, interatomic forces can be used to follow the classical (or quantum) dynamics of the nuclei. The problem to date has been the high cost of solving the electronic Schrödinger equation, especially for large molecules. This talk will summarize the basic problems and show how first-principles dynamics can be carried out for entire proteins by redesigning the algorithms for use on stream processors, especially graphics processing units (GPUs). Such algorithms can speed processing by nearly three orders of magnitude, making it possible to carry out on a desktop computer calculations that were once possible only on a supercomputer. Bio Professor Todd J. Martínez received his B. S. in Chemistry from Calvin College in 1989 and his Ph.D. in Chemistry from the University of California at Los Angeles in 1994. From 1994 to 1996, he was a Fulbright Junior Postdoctoral Researcher at Hebrew University in Jerusalem and a University of California President’s Postdoctoral Fellow at UCLA. In 1996, he joined the faculty in the Department of Chemistry at the University of Illinois where he rose through the ranks to become the Gutgsell Chair in Chemistry. In 2009, he moved to Stanford where he is currently Ehrsam and Franklin Professor of Chemistry. He is also Professor of Photon Science at SLAC National Accelerator Laboratory. Professor Martínez’ research lies in the area of theoretical chemistry, emphasizing the development and application of new methods which accurately and efficiently capture quantum mechanical effects. These quantum mechanical effects are crucial in understanding chemical bonding, molecular transformations, and reactions involving light. Professor Martínez has applied these methods to a prototype for the critical first step in human vision – the isomerization, or change in shape, of conjugated molecules when exposed to light. This work has led to a new and deeper mechanistic understanding of this photoisomerization process and how it may be controlled. Professor Martínez has received numerous awards in recognition of his contributions to theoretical chemistry and our understanding of the chemical reactivity of electronic excited states. These include fellowships and awards from the Camille and Henry Dreyfus Foundation, the Alfred P. Sloan Foundation, the Arnold and Mabel Beckman Foundation, the David and Lucille Packard Foundation, and the John D. and Catherine T. MacArthur Foundation. Professor Martínez is an elected fellow of the American Physical Society and the American Association for the Advancement of Science. He has published over 100 articles and book chapters and given more than 125 seminars and presentations at conferences and universities around the world. _______________________________________________ iic-colloquium mailing list iic-colloquium(a)calists.harvard.edu http://calists.harvard.edu/mailman/listinfo/iic-colloquium

14 years, 12 months

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aspuru-list May 2009