aspuru-list January 2007

aspuru-list@lists.fas.harvard.edu

6 participants
23 discussions

[Aspuru-Guzik group list] Re: Directory updates - aag

by Alan Aspuru-Guzik

Dear group, Dear Jerrey Please find attached an address sheet, please note any corrections and send them to Marilyn. Jerry: could you create an alias called aspuru-admin(a)chemistry.harvard.edu, I would love to have that forwarded to Marilyin's account (levin@chemistry) so that becomes the permanent address for the admins in my group. Is that possible? That way it can be forwarded to the current administrator but the contact address is always valid. Cheers, Alan On 1/24/07, Marilyn Levin <levin(a)chemistry.harvard.edu> wrote: > > > Is this directory list correct? > Marilyn > > ------------------------------------------------------- > > Please check information, and send back with all changes (in a different > color). > Currently, I have marked* possible changes in Blue and Orange print* > (please see attached document for specifics). > > Please send back* no later* than 5:00pm, Friday, January 26, 2007. > > Thanks in advance for all of your help in keeping the directory up to > date! > > Please let me know if you have any questions or concerns. > > Best, > Meg > > > > * > * > Marilyn Levin, Lab Administrator for > Professor Hongkun Park and Professor Alan Aspuru-Guzik > Department of Chemistry and Chemical Biology & > Department of Physics > Harvard University > Tel 617-384-7998, Fax 617-384-7920 > http://www.people.fas.harvard.edu/~hpark/index.html > > > <http://www.people.fas.harvard.edu/%7Ehpark/index.html> > > -- 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

17 years, 3 months

[Aspuru-Guzik group list] [iic-seminars] IIC Seminar Reminder - Carole Goble on January 31, 2007

by Helene Tingle

Initiative in Innovative Computing @ Harvard Seminar Series Wednesday, January 31, 2007; 4:00pm 60 Oxford Street, Room 330 Professor Carole Goble, The University of Manchester, UK Seminar Title: Sense and Sensibility: Adding Meaning to Metadata for Manageable Middleware Abstract: Recent work on a Semantic Open Grid Service Architecture (S- OGSA) lays the foundation for a systematic yet lightweight approach to deploying semantics into new and legacy Grid middleware. In this talk I will share my experiences of applying Semantic Web and ontology based approaches to represent and classify metadata and discuss the Semantic Grid using the S-OGSA as an illustration. I’ll also take the opportunity to voice some concerns and raise some challenges that we have to overcome, not many of which are technical. Upcoming IIC seminars Continue to stay up to date with our IIC Seminar Schedule. Parking is available in the 52 Oxford Street Garage. Please tell the attendant that you are attending the IIC Seminar. _______________________________________________ iic-seminars mailing list iic-seminars(a)calists.harvard.edu http://calists.harvard.edu/mailman/listinfo/iic-seminars

17 years, 3 months

[Aspuru-Guzik group list] Remote Sensing and GIS Workshop at Harvard - 2/16/07

by Jenny MacGregor

Dear HUCE Faculty and Friends, There will be many exciting environmental events taking place in February and throughout the Spring term. I hope to include the details for these myriad events in my weekly calendar emails, but occasionally will be sending out additional emails like this one to highlight a certain opportunity. The following announcement is for a GIS and Remote Sensing Workshop that the Center for the Environment is co-sponsoring with the Harvard Center for Geographical Analysis and the Sigma Xi Harvard Chapter. This free workshop is aimed at educating anyone interested in the use and applicability of GIS and Remote Sensing as research tools, with a special focus on Harvard's capabilities and services. I hope that some of you are able to take advantage of this opportunity. Kindly, Jenny MacGregor Events and Publications Coordinator Harvard University Center for the Environment We have all seen beautiful images of the earth from space, and detailed photos of cities taken from airplanes. As of today, many different satellites are orbiting the earth, mounted with diverse sensors. Countless aircrafts have flown, or can be scheduled to fly, along designated paths, to take conventional or specialty pictures of the earth surface. Both space-borne and airborne sensors can cover a wide range of electromagnetic spectrum, generating enormous amounts of valuable data. Applications of such remotely sensed data are diverse. Examples include wild fire monitoring, crops production estimation, weather forecasting, urban sprawl trend detection, and many more. Come join us to learn more about GIS and remote sensing technology, and possible applications to your areas of teaching and research: - Hear an overview of this dynamic discipline from Professor John Jensen, Carolina Distinguished Professor; - See how Harvard faculties and scientists use remote sensing technology in their research fields, including public health, ecology and environmental studies, archaeology and history; - Learn the commonly used remote sensing data types and sources from a NASA scientist; - Participate in a discussion on how the Center for Geographic Analysis may better serve the Harvard user community; and - Take away reading materials about public and commercial services on remote sensing data, image analysis software, and consultation. Mark your calendar -- Friday, February 16, 2007. 1:00-6:00pm, at CGIS South Building, Rm.010, 1730 Cambridge St., Cambridge, MA. Please register (free) <http://www.gis.harvard.edu/icb/icb.do?keyword=k235&tabgroupid=icb.tabgroup7….> ASAP. The detailed program <http://isites.harvard.edu/fs/docs/icb.topic34492.files/announcements/RS_Wor…> of this event is on the CGA website <http://www.gis.harvard.edu/>. -- Jenny MacGregor Events and Publications Coordinator Harvard University Center for the Environment ph: 617-495-8883

17 years, 3 months

[Aspuru-Guzik group list] Python, PyQuante, and Swig

by James D Whitfield

There is an upgrade available for python and for swig and there is an error in PyQuante. The upgrade package for python 2.5 is here<http://www.python.org/ftp/python/2.5/Python-2.5.tar.bz2>. Once you install you'll have to run it as python2.5 instead of just python. You'll probably want to rebuild your scipy and numpy packages as well. I'll post the instructions for changing the python command so that it links to python2.5 rather than python2.4 on the wiki soon. The update for the swig 1.3.31 is here.<http://sourceforge.net/project/showfiles.php?group_id=1645&package_id=8156&…>You'll need this if you upgrade to python2.5 because the older versions don't work with 2.5. Once you download the package it has instruction in the tar file that will walk you through the installation. In PyQuante, anyone who's receiving the error about 'from numpy import matrixmultipy, transpose' must change it to 'from Numeric import matrixmultipy, transpose' It should work then. Good luck, James Whitfield -- James D Whitfield Graduate Student, Chemical Physics Department of Chemistry and Chemical Biology Harvard University tel: 301-520-7847

17 years, 3 months

[Aspuru-Guzik group list] Re: Cluster installation details.

by Alan Aspuru-Guzik

Dear Lalit, Please go ahead. I am notifying the group right now of possible outages. Yours, Alan On 1/22/07, Lalit Jain <ljain(a)angstrom.com> wrote: > > Hi Alan, > > I was hoping to transfer the electronics over the weekend but did not > hear back, thus we did not take down the machines for transfer yet. > > We are running really close to deployment day and I am concerned that we > might be forced to delay the deployment til Monday if there are > unforeseen issues in transferring the electronics for any reason. > Please let us know when we can take down the servers as soon as you are > able. > > Thanks > > Lalit > > Lalit Jain wrote: > > Hi Alan, > > > > We are going to be transfering the electronics of all of your blades to > > the latest LiquiCool infrastructure this weekend. We will need about a > > day to do this. Please let me know when we can start doing this without > > major disruption to students. > > > > Thanks > > > > Lalit > > > > Alan Aspuru-Guzik wrote: > >> Dear Mike, James, Lalit. > >> > >> Angstrom is going to be moving the cluster to Harvard and Installing > the > >> 24th. > >> > >> This e-mail is to coordinate efforts: My student James Whitfield will > be > >> the local contact. Lalit, can you please tell James when you guys are > >> arriving and coordinate with him? He will be my group's contact in the > >> operation. > >> > >> Lalit Jain (MIT '90) ljain(a)angstrom.com M.617-438-6726 -- technical > >> architect and designer of the liquid cooled system > >> Corey Le cle(a)angstrom.com M.617-372-1831 Installs Angstrom racks and > >> provides technical support > >> Michael Chen wychen(a)angstrom.com M.6179014228 Software technologist > >> -- installs and configures Linux O/S, drivers and apps. > >> JiaJie Lin jlin(a)angstrom.com M.617-438-6728 Designer and integrator of > >> Liquid Cooling system > >> > >> Mike (Ethier): Here is the new IP address of the cluster. When things > >> are set and done, can you help James change the IP identity of the > >> cluster to the new IP address? This might also be done by Michael Chen > >> or Corey Le if necessary: > >> > >> clandestino.chem.harvard.edu has address 128.103.54.120 > >> > >> I will not be around (away giving a course in Colombia), but available > >> by e-mail! > >> > >> Cheers, > >> Alan > >> > > > > -- > Lalit Jain > Chief Executive Officer > Angstrom Microsystems > 27 Drydock Avenue #801 > Boston, MA 02210 > > ljain(a)angstrom.com > > Office (617) 695-0137 x 11 > Fax (617) 695-0984 > Mobile (617) 438-6726 > > http://www.Angstrom.com > > -- 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

17 years, 3 months

[Aspuru-Guzik group list] Special Lecture 2/7/07 - Bioenergy

by Jenny MacGregor

Please join us for a public lecture Center for International Development Harvard University Center for the Environment Belfer Center for Science and International Affairs present Corrado Clini Director General of Italy’s Ministry for the Environment Land and Sea Chairman of the Global Bioenergy Partnership Bioenergy in a Globalizing World: Issues of Sustainable Development, Trade and Policy Wednesday - February 7, 2007 4:00-5:30 Maxwell Dworkin Lecture Hall Harvard University North Yard, 33 Oxford Street, Cambridge Hosted by: William Clark, Center for International Development Daniel Schrag, Harvard University Center for the Environment John Holdren, Belfer Center for Science and International Affairs Corrado Clini is Director General of Italy’s Ministry for the Environment Land and Sea and Chairman of the Global Bioenergy Partnership launched at the G8 Gleneagles Summit. Dr. Clini is project leader of national and international cooperation programs (240 projects in 45 countries) on environment, energy and sustainable development and is chairman of the National Sustainable Development Strategy and the Task Force for the implementation of the Kyoto Protocol in Italy. He is a Senior Research Fellow at Harvard’s Center for International Development, an Associate of the Harvard University Center for the Environment, and a Visiting Professor at the Tsinghua University in Beijing in the Department of Environmental Sciences and Engineering. He trained as a medical doctor and received his PhD in public and occupational health. -- Jenny MacGregor Events and Publications Coordinator Harvard University Center for the Environment ph: 617-495-8883

17 years, 3 months

[Aspuru-Guzik group list] Schedules + DFT meetings.

by Alan Aspuru-Guzik

Dear group, We are gearing up to the next semester and we need to re-start group meetings periodically. Do you think you will have 'beta'-versions of your schedules in Google by next week so we can set a time for the first Hartree-Fock / DFT tutorial? It could be potentially two Thursdays from now. Does that sound plausible? Please let me know when your schedules for next semester are updated in the Wiki. If you don't know if you are taking a certain class, just block it for a while so we can find a common working time for 9 people. Remember, scheduling is an NP problem. Cheers, A. PS. I will be away from the 21-28 in Cali, Colombia, Alejandro's land, available by e-mail. I can Skype you if you want to discuss science. -- Alán 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

17 years, 3 months

[Aspuru-Guzik group list] Upgrade Ubuntu

by James D Whitfield

Upgrading Ubuntu To upgrade from 6.06 to 6.10 using the GUI, open a command prompt and type sudo gksu "update-manager -c -d" Follow the rest of the prompts. If you have any further issues or want a more detailed guide head to Upgrade Ubuntu 6.06 (Dapper Drake) to Ubuntu 6.10 (Edgy Eft)<http://Upgrade%20Ubuntu%206.06%20%28Dapper%20Drake%29%20to%20Ubuntu%206.10%…> Also go to GetAutomatix.com <http://getautomatix.com> <http://getautomatix.com>to get an installer that includes many of the programs missing from Lunix commonly found on windows computers. To play .wma files in Ubuntu with the programs XMMS or BMP goto http://mcmcc.bat.ru/xmms-wma/ and download xmms-wma-1.0.5.tar.bz2 I hope this helps, JDW -- James D Whitfield Graduate Student, Chemical Physics Department of Chemistry and Chemical Biology Harvard University tel: 301-520-7847

17 years, 3 months

[Aspuru-Guzik group list] Environmental Events at Harvard 1/18/07 - 2/1/07

by Jenny MacGregor

Dear HUCE Faculty and Friends, A Happy New Year to All! Please refer to the Center website for complete details on these and other environmental events taking place at and near Harvard. If you would like to add an event to the calendar, or unsubscribe from this list, please contact Jenny MacGregor, jenny_macgregor(a)harvard.edu <mailto:jenny_macgregor@harvard.edu>, 617-495-8883. *Highlights:* Today, Good Jobs and Clean Energy @ Radcliffe 1/31/07 -- Future of Energy with Saudi Aramco President and CEO, Abdallah Jum'ah 2/1/07 -- Climate Seminar -- Atmospheric Chemistry with Paul Wennberg, Caltech *Looking Forward to February (*/see Center online calendar for details/*):* 2/5/07 - Future of Energy with Dan Arvizu, Director of Nation Renewable Energy Laboratory 2/7/06 -- Bioenergy in a Globalizing World with Corrado Clini, Director General of Italy's Ministry of Land and Sea and Chairman of the Global Bioenergy Partnership 2/16/07 -- Remote Sensing Technology and Applications Workshop 2/26/07 -- Shorebird Distribution and Abundance on the Artic Refuge Coastal Plain with Stephen Brown of the Manomet Center for Conservation Studies *New Environmental Courses at Harvard:* /STAT155/BIST284: Spatial Statistics for Social Inquiry and Health Research/ Chris Paciorek, Rima Izem, Louise Ryan Spring T/Th 10:30-12 Introduction to spatial statistics with application to social science and public health research. Emphasizes methods for the analysis and visualization of three basic types of spatial data: areal data, point (geostatistical) data, and point processes. Heavy emphasis on real applied problems through case studies, guest lectures, and student projects. Basic GIS skills will be covered in a short module. Note that prerequisites are guidelines and students are encouraged to consult the instructors. */OEB 122b. Field Research in Ecology and Conservation /* /D. R. Foster, K. Donohue, and N. M. Holbrook Spring TBA// //Field Methods course in ecology and conservation biology that help students reach research objectives. In small group seminars, workshops and field trips, students will work directly with faculty, discover new research opportunities and develop the skills needed at all stages of independent and collaborative research. Enrollment limited/ *Calendar Listings:*** *TODAY 1/18/2007 * 4:00p - 6:00p The Apollo Alliance: Good Jobs and Clean Energy <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6337…> Radcliffe Gymnasium, 18 Mason St., Cambridge -- Radcliffe Yard *Friday 1/19/2007* 11:00a - 12:00p Movement underfoot and the dynamics of plant communities: the role of soil microbes in plant ecology <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6337…> Jim Bever, Indiana University and Harvard Bullard Fellow Harvard Forest Winter/Spring 2007 Seminar Series Shaler Hall, Harvard Forest, Petersham, MA *Sunday 1/21/2007* 2:00p - 3:00p Taking a Closer Look at Everyday Life: From Flowers and Flags to Fishes and Flytraps <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6337…> Professor L. Mahadevan, Harvard Harvard Museum of Natural History Family Program Geological Lecture Hall, 24 Oxford Street, Cambridge *Tuesday 1/23/2007 * 7:00p - 9:00p Overcoming Public Complacency About Climate Change; Systems Thinking for Complex Policy Challenges <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6305…> John Sterman, the Jay W. Forrester Professor of Management and Director of the Systems Dynamics Group at the MIT Sloan School of Management Lexington Global Warming Action Coalition Lecture LEXINGTON, MA - Cary Memorial Library *Friday 1/26/2007* 8:30a - 9:30a Leech Symbiont and Mouse Pathogen, Aeromonas veronii, a Beneficial Microbe with a Dark Side <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6331…> Prof. Joerg Graf, Department of Molecular and Cell Biology, University of Connecticut Storrs Microbial Sciences Initiative Chalktalk Breakfast Harvard Univ. Center for the Environment (HUCE) conf. room 310, 24 Oxford St, Cambridge 11:00a - 12:00p Population strucuture of Armillaria spp. in a temperate, old-growth rainforest, Olympic Peninsula, Washington <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6337…> Nicholas Brazee -- Dept. of Plant, Soil, & Insect Sciences, University of Massachusetts Harvard Forest Winter/Spring 2007 Seminar Series Shaler Hall, Harvard Forest, Petersham, MA *Saturday 1/27/2007* 8:45a - 4:00p Gene-Environment Interaction Symposium <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6305…> MIT - Strata Center 32-141 Sponsored by the MIT Center for Environmental Health Sciences * Wednesday 1/31/2007* 5:00p - 6:00p The Future of Energy Lecture Series - A Candid Assessment of the US and World Energy Future <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6318…> Abdallah S. Jum'ah, President and Chief Executive Officer, Saudi Aramco Science Center Lecture Hall C, Harvard *Thursday 2/1/2007 * 12:15p - 1:00p Climate Change 101 -- Causes, Effects and Cures <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6318…> Melissa Cary, Climate Change Policy Specialist, Environmental Defense Part of Loeb Action on Climate Change Symposium Stubbins Room 112, Graduate School of Design, Gund Hall, 48 Quincy Street, Cambridge 4:00p - 5:00p Measurements of the column distribution of CO2: a new constraint for understanding surface exchange <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6318…> Paul Wennberg, R. Stanton Avery Professor of Atmospheric Chemistry and Environmental Science and Engineering, Caltech Harvard Climate Seminar Haller Hall 102 Geological Museum, 24 Oxford Street 4:00p - 5:00p What Cities Are Doing <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6318…> Sadhu Johnston, Commissioner, the City of Chicago Department of the Environment Part of Loeb Action on Climate Change Symposium Piper Auditorium, Graduate School of Design, 48 Quincy Street, Cambridge 5:00p - 7:30p Free screeing of "An Inconvenient Truth" <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6337…> Harvard School of Public Health, Longwood Campus,, HMS NRB (New Research Building), Amphitheater, 77 Louis Pasteur Ave, Boston 6:00p - 7:00p Living on a Shrinking Planet: Challenges for a Sustainable Future <http://www.environment.harvard.edu/navigation2/activities.htm?event_id=6318…> Dr. Jonathan Foley, Director of the Center for Sustainability and the Global Environment, Univ. of Wisconsin Part of Loeb Action on Climate Change Symposium Piper Auditorium, Graduate School of Design, 48 Quincy Street, Cambridge -- Jenny MacGregor Events and Publications Coordinator Harvard University Center for the Environment ph: 617-495-8883

17 years, 3 months

[Aspuru-Guzik group list] Goodbye lunch for Ivan.

by Alan Aspuru-Guzik

Dear All, Ivan Tubert's last day with us is Thursday. How about meeting at noon and going out to lunch with him to say goodbye? Anybody interested, let's meet at the group office. Cheers, Alan -- Alán 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

17 years, 3 months

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aspuru-list January 2007