aspuru-list September 2013

aspuru-list@lists.fas.harvard.edu

41 participants
70 discussions

[Aspuru-Guzik group list] NOW! 2:45 PM in J250 - Rainer Blatt - Special HQOC/ITAMP Colloquium

by Hamilton, Joan

HQOC/ITAMP Special Colloquium Monday, Sept. 23 at 2:45 PM in J250* (*Please Note: changed day and time) Rainer Blatt, University of Innsbruck "The Quantum Way of Doing Computations" Since the mid nineties of the 20th century it became apparent that one of the centuries’ most important technological inventions, computers in general and many of their applications could possibly be further enormously enhanced by using operations based on quantum. This is timely since the classical roadmaps for the development of computational devices, commonly known as Moore’s law, will cease to be applicable within the next decade due to the ever smaller sizes of the electronic components that soon will enter the quantum physics realm. Computations, whether they happen in our heads or with any computational device, always rely on real physical processes, which are data input, data representation in a memory, data manipulation using algorithms and finally, the data output. Building a quantum computer then requires the implementation of quantum bits (qubits) as storage sites for quantum information, quantum registers and quantum gates for data handling and processing and the development of quantum algorithms. In this talk, the basic functional principle of a quantum computer will be reviewed and a few technologies for their implementation will be highlighted. In particular, the quantum way of doing computations will be illustrated by showing how quantum correlations, commonly known as “entanglement” can enhance computational processes. Aside from their use for quantum computers, these quantum technologies open wide perspectives for applications in many technical areas. Examples such as quantum enhanced metrology and quantum simulations will be presented. Coffee and Tea Served at 2:45 PM, Speaker Presentation will begin at 3:00 PM Joan Hamilton Faculty Assistant to Profs. Greiner and Lukin HQOC Laboratory Administrator HUCTW Local Union Representative Harvard University Department of Physics 17 Oxford Street Cambridge, MA 02138 P: (617) 496-2544 F: (617) 496-2545

10 years, 7 months

[Aspuru-Guzik group list] Flaskbox

by Cummings, Marlon

Hi Everyone: I wanted to take a moment and thank all of you for the comments and suggestions you provided during group meeting. Since the meeting activation of Flaskbox has been a bit slow. I have put together the following set of directions to help guide you through the activation process in an effort to increase usage. https://docs.google.com/presentation/d/1nhno_3vUIGK4ceukJ5GDHEHHK4jW23-HL3r… If you have any suggestions for improvements or features that would make the tool useful to you, please let me know. I would be delighted to correspond via email or over a cup of coffee (my treat). Flaskbox represents a significant effort by the team and we want it to be a tool that you all feel excited about using. If we have missed the mark, let us know so that we can get back on track. Thank you all for your feedback and support. With Respect, Kai

10 years, 7 months

[Aspuru-Guzik group list] Visitor: Jie Jang

by Xavier Andrade

Dear all, Next Wednesday (Sep 25) we will have the visit of Jie Jiang from Yale University. He is interested in coming as a postdoc to our group (joint with the Heller group). He will give a talk at 2 PM in the Division room, the abstract is below. If you would like to meet with him, let me know. Xavier -------------------------------------------------------- Electronic and optical properties of low dimensional materials Jie Jiang Applied Physics, Yale University After briefly reviewing our recent density functional theory works on morphology and band alignments at the interfaces of ordered organic-inorganic photovoltaic and edge effects on spin polarization and electron transport in graphene nanoribbons, we will focus on electron-phonon couplings and Resonance Raman spectroscopy in carbon nanotubes. Based on extended tight-binding modeling, we develop computer programs to calculate electron-phonon matrix elements, excitonic effects, and Resonance Raman intensities in single-wall carbon nanotubes (SWNTs). We predict family patterns, chirality dependence, diameter dependence, node effects, and tube type dependence in the Radial breathing model Raman signals, which has been widely confirmed by experiments. We also identify various phonon assisted processes in photoluminescence excitation from samples enriched with particular types of nanotubes. By implementing electron-phonon couplings in a time dependent wave packet approach, we study phonon effects on electron transport in SWNTs. Our excitonic calculations improve the accuracy of Kataura plots, which was originally described in a single–particle picture, and these improvements together with Raman measurements help characterize specific nanotube species (n, m) present in SWNT samples. We will end the talk by briefly discussing possible future involving state-of-the-art computational techniques to gain a fundamental understanding of Raman spectroscopy in two-dimensional materials beyond graphene, and extending this information into material characterization.

10 years, 7 months

[Aspuru-Guzik group list] Flaskbox activation

by Kai Trepte

Hi Everyone: I wanted to take a moment and thank all of you for the comments and suggestions you provided during group meeting. Since the meeting activation of Flaskbox has been a bit slow. I have put together the following set of directions to help guide you through the activation process to increase usage. https://docs.google.com/presentation/d/1nhno_3vUIGK4ceukJ5GDHEHHK4jW23-HL3r… If you have any suggestions for improvements or features that would make the tool useful to you, please let me know. I would be delighted to correspond via email or over a cup of coffee (my treat). Flaskbox represents a significant effort by the team and we want it to be a tool that you all feel excited about using. If we have missed the mark, let us know so we can get back on track. Thank you all for your feedback and support. With Respect, Kai

10 years, 7 months

[Aspuru-Guzik group list] Fwd:

by Alan Aspuru-Guzik

-- Alan Aspuru-Guzik Professor of Chemistry and Chemical Biology Harvard University http://aspuru.chem.harvard.edu Forwarded message: > From: Shaul Mukamel <smukamel(a)uci.edu> > To: Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu> > Date: Sunday, September 22, 2013 at 11:45:11 AM > Subject: (no subject) > > Alan > I am looking for outstanding candidates for postdocs and will appreciate > your help > I hope you find the attached of interest > Shaul > > -- > > > Shaul Mukamel > Chancellor Professor of Chemistry > University of California, Irvine > Irvine, CA 92697-2025 > tel:949-824-7600 > fax:949-824-8571 > email: smukamel(a)uci.edu > http://mukamel.ps.uci.edu > >

10 years, 7 months

[Aspuru-Guzik group list] [qip] Friday Tomorrow

by Edward Farhi

Hi Quanta Tomorrow the group will meet at 11:00 in 6-310 as usual. Xiaodi Wu (one of our new postdocs!) will tell us about what he has been up to. I won't be there but carry on without me! 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

10 years, 7 months

[Aspuru-Guzik group list] Monday, Sept 23 at 2:45 PM in J250 - Rainer Blatt - Special HQOC/ITAMP Colloquium

by Hamilton, Joan

HQOC/ITAMP Special Colloquium Monday, Sept. 23 at 2:45 PM* (*Please Note: changed day and time) Rainer Blatt, University of Innsbruck [X] Joan Hamilton Faculty Assistant to Profs. Greiner and Lukin HQOC Laboratory Administrator HUCTW Local Union Representative Harvard University Department of Physics 17 Oxford Street Cambridge, MA 02138 P: (617) 496-2544 F: (617) 496-2545

10 years, 7 months

[Aspuru-Guzik group list] 32 GPGPU cluster is available!!

by Alan Aspuru-Guzik

Group members, Please start using the GPGPU cluster! Instructions below. I am volunteering Sam and Christoph to write a page in the wiki with these instructions. I would love to see Ian, Dmitrij and Adrian, Xavier, Nico, Sam and Thomas, etc. keep this resource busy!! Please send me updates as how it is doing. Jacob let's update website news with something along the lines of Mention this is for our NSF cyber discovery initiative collaboration with Hanspeter Pfister and Lincoln Greenhill. That Research Computing partnered in the acquisition and setup of the resource and that we are immensely grateful to James Cuff (link to his page) and Research Computing (link) for making this possible (Photo)! Alan -- Alan Aspuru-Guzik Professor of Chemistry and Chemical Biology Harvard University http://aspuru.chem.harvard.edu Forwarded message: > From: James Cuff <james_cuff(a)harvard.edu> > To: Alan Aspuru-Guzik <alan(a)aspuru.com>, Hanspeter Pfister <pfister(a)g.harvard.edu>, Lincoln Greenhill <greenhill(a)cfa.harvard.edu> > Date: Wednesday, September 18, 2013 at 9:55:50 AM > Subject: gpu > > Hi team, > > Boxes are up, tested and ready. Currently holygpu02 has a poorly IB > connector so is not in the 56Gb/s fabric, it is up on ethernet though. > We need to order a new eeprom for it. Other than that you should be > good to go! > > Your folks can hit this via SLURM with: > > #SBATCH -p gpgpu > > Here are all the cards. Sorry this took so long, but future > deployments will be a whole lot faster. If you have any issues please > feel free to write rchelp(a)fas.harvard.edu > > [root@salt ~]# salt "holygpu*" cmd.run "nvidia-smi -L" > holygpu02.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-84c19a44-6dca-c168-fead-da6e34971d8d) > GPU 1: Tesla K20m (UUID: GPU-e06ce37f-b989-be21-f43c-2391f224c0fd) > holygpu10.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-32893213-f738-5f2f-87b3-2e1c30a85e11) > GPU 1: Tesla K20m (UUID: GPU-b2c1dc8b-1a29-3403-3d21-b91e7d6591f7) > holygpu12.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-37ae5e3a-e2da-1827-ebee-e338b7bc689c) > GPU 1: Tesla K20m (UUID: GPU-6337fe3f-8786-d73a-45fd-666373d9d6ef) > holygpu15.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-65569831-2fa6-e32a-372b-17fc5bab80aa) > GPU 1: Tesla K20m (UUID: GPU-5a81faa9-c910-bdf5-5305-1d4baa1113e1) > holygpu13.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-bdfb917d-de62-0e82-6252-77990445236e) > GPU 1: Tesla K20m (UUID: GPU-158a1cbd-fd05-6b0b-46fe-f14a5d0f468c) > holygpu01.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-9ea23310-7e94-fa67-f320-ef5201eeb563) > GPU 1: Tesla K20m (UUID: GPU-e6ad3207-ee44-b2ee-51b5-e694ccc4bdb2) > holygpu04.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-cb238e61-804f-2e1c-c8ea-75cbf6727f07) > GPU 1: Tesla K20m (UUID: GPU-4a860cc2-9e40-aa71-a36b-5beb14068a1e) > holygpu14.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-c975155c-75ed-5f4f-c996-de9f157040e3) > GPU 1: Tesla K20m (UUID: GPU-87411be4-4da5-859e-88ee-5c91b0b5cc4f) > holygpu09.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-076d9fff-ff5f-d352-7e60-124065a99355) > GPU 1: Tesla K20m (UUID: GPU-15480822-fb65-7de6-0d32-e104cc343d5c) > holygpu03.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-1b8bf1e2-9313-0191-a434-19dc2b843992) > GPU 1: Tesla K20m (UUID: GPU-e7b1181d-64d6-09b0-3ea4-c4643c9ab50b) > holygpu06.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-54176dd9-40e3-5221-a84c-f0188294433c) > GPU 1: Tesla K20m (UUID: GPU-bd56d0a9-e1a2-116b-cb42-697fa6b16784) > holygpu11.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-e3c8f246-4aac-0e79-dc84-05c0295baa56) > GPU 1: Tesla K20m (UUID: GPU-c44b9aaf-5421-d9aa-4dbf-843fbcccac09) > holygpu07.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-8c3c4b8e-d09a-0c06-4580-eeb095072394) > GPU 1: Tesla K20m (UUID: GPU-38edee89-c15b-9e69-cd8e-9062320b0840) > holygpu16.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-298c2e54-94fb-3325-99e1-80cbd73ab2d3) > GPU 1: Tesla K20m (UUID: GPU-8adc9d8c-b0a9-0e91-60d7-d6e2c8ba86cd) > holygpu08.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-f9625ec9-7af9-869d-58ac-003e3175e0e7) > GPU 1: Tesla K20m (UUID: GPU-5edda9cc-cd94-2b89-9428-ab50668321e9) > holygpu05.rc.fas.harvard.edu: > GPU 0: Tesla K20m (UUID: GPU-108be2d2-6dac-1769-f3bb-023bd6d5f886) > GPU 1: Tesla K20m (UUID: GPU-883a74f5-c7da-7bcb-a684-8b88f4e7b794) > > > -- > dr. james cuff, director of research computing & chief technology > architect harvard university | faculty of arts and sciences | division > of science rm 210, thirty eight oxford street, cambridge. ma. 02138 > tel: +1 617 384 7647 | http://about.me/jcuff > >

10 years, 7 months

[Aspuru-Guzik group list] New Resource for Postdocs

by Marlon Cummings

Please take a look! http://www.postdoc.harvard.edu/ ------------------------- Marlon G. Cummings Lab Manager, Aspuru-Guzik Group Mallinckrodt M112 Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617-496-9964 617-496-9411 (fax) http://aspuru.chem.harvard.edu/

10 years, 7 months

[Aspuru-Guzik group list] TODAY -- Nobel Prize Laureate David Wineland, 2012, HQOC Seminar

by Markus Greiner

Join us for the first HQOC seminar of the year TODAY in Jefferson 250 4:00 pm: tea, 4:30 pm: talk David J. Wineland "Quantum Control of Trapped Atomic Ions" Physics Nobel Laureate 2012

10 years, 7 months

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aspuru-list September 2013