aspuru-list June 2012

aspuru-list@lists.fas.harvard.edu

13 participants
29 discussions

[Aspuru-Guzik group list] Free black vinyl couch-bed with 3 storage drawers

by Aspuru

Dear group members, Dori and I are rearranging furniture at home and will not need this couch-bed anymore. It cost us originally 500 back in the bay area circa 2005. We used to have it in our living room when I was a postdoc. It is well preserved and has great storage drawers. It is *free* to the first group member that agrees to come to my house (Cambrigeport) and take it away before next Saturday when we have other furniture come in. It is great as a guest bed! I will send another picture of it in the next message. Again, first come, first-serve. Alan Aspuru-Guzik Associate Professor Harvard University http://aspuru.chem.harvard.edu Sent from my mobile. Please pardon any typos.

10 years

[Aspuru-Guzik group list] group meeting tomorrow, 2pm

by Ryan Babbush

Hello Everyone, Tomorrow I'll be giving my first group meeting at the usual time, in the usual place (Division Room, 2pm). My plan is to present two projects that I've been working on recently; thus, I'll include two abstracts. Part 1: Effective classical force-fields for quantum ensembles Most approaches to molecular dynamics involve integrating Newton's equations on force-fields which are designed to approximate quantum potential energy surfaces. While this seems justifiable in the limit of high temperature and/or heavy atoms, the "highly quantum" behavior of ensembles significantly affected by low mass particles such as hydrogen cannot be reproduced via classical propagation with such force-fields. However, the success of path integral approaches such as RPMD beg the question of whether there may exist local "effective potentials" which can approximately reproduce quantum ensemble distributions when integrated classically. Using a simple genetic algorithm routine we have been able to find effective potentials which closely reproduce the ensemble position distribution of several simple systems. My presentation of this project will cover the theoretical underpinnings and successful applications of our technique. Part 2: Heuristic approaches to embedding NP Hard problems in Ising models suitable for adiabatic quantum computation A prominent architecture for prototype quantum annealing devices (in particular the Dwave One) is designed to find the ground state of Ising Hamiltonians with restricted couplings. Even if such a device were to function in an idealized fashion there are many NP Hard problems which cannot be mapped to this subset of Ising models at all, which cannot be mapped in an efficient way, or for which finding the mapping is itself an NP Hard problem. In the second part of my group meeting I will discuss techniques that we've used which attempt to find a heuristic embedding to such Hamiltonians. In particular, I will discuss our work studying the optimization of water cluster configurations with DWave One. -- Ryan Babbush | PhD Student in Chemistry (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Research Group 12 Oxford Street, Box 400 | Cambridge, MA 02138

11 years, 10 months

[Aspuru-Guzik group list] Fwd: Advances in Quantum Technology: From Quantum Information to Quantum Devices

by sarah mostame

FYI ------ Sarah Mostame, Ph.D. Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Room M104 Cambridge, MA 02138 email: mostame(a)fas.harvard.edu http://aspuru.unix.fas.harvard.edu/People/Sarah_Mostame/ Dear Colleague, Please find in attachment the annoucement of the Workshop on Advances in Quantum Technology: From Quantum Information to Quantum Devices The event will be held at the International Institute of Physics at the UFRN Campus in Natal, from Monday, August 20 - 31, 2012 and will be directed by Pasquale Sodano, International Institute of Physics (Natal, RN, Brazil), Sougato Bose, University College London (London, UK), Christiane de Morais-Smith, University of Utrecht (Utrecht, The Netherlands), Andrea Trombettoni, CNR-IOM and SISSA (Trieste, Italy) For more information, please access our web site at Advances in Quantum Technology: From Quantum Information to Quantum Devices

11 years, 10 months

[Aspuru-Guzik group list] Fwd: Let's talk computing!

by Alan Aspuru-Guzik

Of interest to summer students! -- Alan Aspuru-Guzik Associate Professor of Chemistry and Chemical Biology Harvard University http://aspuru.chem.harvard.edu Forwarded message: > From: Rosalind Reid <rreid(a)seas.harvard.edu> > To: gaohan(a)seas.harvard.edu, uahengo(a)seas.harvard.edu, rkrishnan(a)seas.harvard.edu, chrisseansatterwhite(a)gmail.com, michael.t.bechard(a)enc.edu, mb833(a)cornell.edu, cooper.galvin(a)pomona.edu, john.a.keller(a)enc.edu, tantrev(a)gmail.com, Jimmy Zhu <jhz22(a)cornell.edu>, William Juan <william.juan(a)some.ox.ac.uk>, remondimi(a)belmonthill.org > Cc: Kathryn Hollar <hollar(a)seas.harvard.edu>, Pavlos Protopapas <pprotopapas(a)cfa.harvard.edu>, Amanda Peters Randles <apeters(a)fas.harvard.edu>, Hanspeter Pfister <pfister(a)seas.harvard.edu>, Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu>, Natasha Baker <nrbaker(a)seas.harvard.edu>, Cris Cecka <ccecka(a)seas.harvard.edu> > Date: Tuesday, June 26, 2012 12:06:53 PM > Subject: Let's talk computing! > > Hello all, > > I'm writing as the executive director of Harvard's Institute for Applied Computational Science. IACS is a new organization launched by SEAS. We're dedicated to building a curriculum and a community at Harvard focused on computational science and engineering. > > I'd like to invite all undergraduates doing computational summer projects to some informal gatherings to talk about computing. We experimented with this a couple of summers ago, and everyone enjoyed the chance to share their summer projects with other students interested in computational approaches and also to meet mentors--grad students and postdocs from other groups. You might find a hacker in another lab who can help you with a troublesome chunk of code! > > I'd like to plan three Friday lunch get-togethers, as follows: > > July 6: Getting acquainted. Just a chance to go around the table and share what you're working on. > > July 20: (1) Thinking about grad school and careers; a short info session on Harvard's new graduate program in computational science and engineering; (2) some short project presentations. > > July 27: More short project presentations > > Each confab will start at noon on Friday in Cruft Lab 403, the IACS conference room. We'll order pizza and subs and drinks. So that we can have enough food and get reminders out to you, please RSVP and let me know which dates you can attend. (Also let me know of any dietary restrictions.) > > We'll send an invitation to a broader group, and you should feel free to forward it. I look forward to seeing you on the 6th! > > Ros > ----------------- > Rosalind Reid > Executive Director, Institute for Applied Computational Science > Harvard School of Engineering and Applied Sciences > Pierce Hall, 29 Oxford Street > Cambridge, MA 02138 > > http://iacs.seas.harvard.edu/people > rreid(a)seas.harvard.edu | 617-384-9091 > >

11 years, 10 months

[Aspuru-Guzik group list] [qip] now

by Edward Farhi

We are meeting now. 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

11 years, 11 months

[Aspuru-Guzik group list] Group meeting tomorrow: Takatoshi

by Ryan Babbush

Hi Everyone, Please join us tomorrow at 2pm in the Division room for group meeting. This week, Takatoshi will be presenting "Exciton dynamics in chlorosomes". An abstract is provided below. Abstract: Chlorosomes are the largest and most efficient natural light-harvesting systems. They are composed of large numbers of bacteriochlorophylls organized into supramolecular aggregates. In this talk, I will present a theoretical study on the exciton dynamics in the chlorosomes. I will show that the exciton diffusion in the chlorosomes is highly anisotropic, which may be relevant to efficient transfer of excitation energy to a reaction center. Through a comparison among different theoretical models, the memory effects associated to the environmental fluctuations are found to enhance the exciton diffusion. -- Ryan Babbush | PhD Student in Chemistry (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Research Group 12 Oxford Street, Box 400 | Cambridge, MA 02138

11 years, 11 months

[Aspuru-Guzik group list] Fwd: ***1st floor Mallinckrodt door by Lowell Hall/Science Center unavailable for use tomorrow Thursday June 21***

by Anna B. Shin

FYI. 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/<http://?ui=2&ik=e7480c62f0&view=att&th=12eee19970eeefe4&attid=0.0.2&disp=emb&zw> ---------- Forwarded message ---------- From: Morrison, Judy <morrison(a)chemistry.harvard.edu> Date: Wed, Jun 20, 2012 at 2:15 PM Subject: ***1st floor Mallinckrodt door by Lowell Hall/Science Center unavailable for use tomorrow Thursday June 21*** To: "hellergroup(a)googlegroups.com" <hellergroup(a)googlegroups.com>, "Serohijos, Adrian" <serohij(a)fas.harvard.edu>, "Gilson, Amy" < amygilson(a)fas.harvard.edu>, "weinberger(a)fas.harvard.edu forwards to gmail.com" <arielweinberger(a)gmail.com>, "Bershtein, Shimon" < bersht(a)fas.harvard.edu>, "ogbunugafor(a)oeb.harvard.edu forwards to gmail.com" <chike.brandon(a)gmail.com>, "Lukatsky, Dmitry" <lukatsky(a)fas.harvard.edu>, "Woodard, Jaie" <jwoodard(a)fas.harvard.edu>, "Choi, Jeong-Mo" < jeongmochoi(a)fas.harvard.edu>, "jiabinxu(a)fas.harvard.edu forwards to gmail.com" <jiabinxu.harvard(a)gmail.com>, Jingwen Zhou <zhoujw1982(a)gmail.com>, Jonathan deWerd <jjoonathan(a)gmail.com>, "Cetinbas, Murat" < mcetinbas(a)fas.harvard.edu>, "Cheron, Nicolas" <ncheron(a)fas.harvard.edu>, "Dasmeh, Pouria" <dasmeh(a)fas.harvard.edu>, "Mannige, Ranjan" < mannige(a)fas.harvard.edu>, Ryan Lee <siyiryanlee(a)college.harvard.edu>, "Virtanen, Salla" <virtanen(a)fas.harvard.edu>, Sana Raoof < sraoof(a)fas.harvard.edu>, "Wylie, Christopher" <wylie(a)fas.harvard.edu>, "Mu, Wanmeng" <wmu(a)fas.harvard.edu> Cc: "eugene(a)belok.harvard.edu" <eugene(a)belok.harvard.edu>, "Gonzaga, Carol" <carol(a)chemistry.harvard.edu>, "Shin, Anna" <anna(a)chemistry.harvard.edu>, "Cohen, Adam" <cohen(a)chemistry.harvard.edu>, "rjames(a)jbmgc.com" < rjames(a)jbmgc.com>, "Paterno, Michael" <paterno(a)chemistry.harvard.edu> Hello Groups (and 1st floor Mallinckrodt colleagues),**** ** ** I just learned that the door many of use to enter and leave the building (1 st floor Mallinckrodt, South, by Lowell Hall and Science Center) will not be available for use tomorrow (Thursday June 20) due to a construction project which requires a large crane to be parked on the pavement outside the doorway for one day.**** ** ** Please use the front or north entrances to the building. The south door will be available for emergency use only (fire, etc.)**** ** ** Best wishes,**** ** ** Judy**** ** ** Judy Morrison**** Assistant to Professors Eugene Shakhnovich and Eric Heller**** Department of Chemistry and Chemical Biology**** Harvard University**** 12 Oxford. St., M-108**** Cambridge, MA 02138**** **** phone: (617) 495-8733**** fax: (617) 384-9228**** email: morrison(a)chemistry.harvard.edu****

11 years, 11 months

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

by Edward Farhi

Hi Quanta I am back from my travels. We will have a group meeting this Friday (June 22) at 11:00 in 6-310. Hartmut Neven from Google will be joining us and making a presentation. See you Friday, 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

11 years, 11 months

[Aspuru-Guzik group list] Unique Properties of Thermally Tailored Copper: Magnetically Active Regions and Anomalous X-ray Fluorescence Emissions

by Jon Welch

Check out this paper Hi everyone, Have a look at this paper by CJ Nagel et al.... It was published in 2009, but they are going to be presenting the latest developments at the Lindau conference this year and I would love to hear what anyone's thoughts on it on are if you have time to give it a quick read through. Kind Regards, Jon Unique Properties of Thermally Tailored Copper: Magnetically Active Regions and Anomalous X-ray Fluorescence Emissions Unknown authors The Journal of Physical Chemistry C 2009 When high-purity copper (≥ 99.98% wt) is melted, held in its liquid state for a few hours with iterative thermal cycling, then allowed to resolidify, the ingot surface is found to have many small regions that are magnetically active. X-ray fluorescence analysis of these regions ... PDF You find the PDF of this article attached to this email. Website Go to publisher website<http://pubs.acs.org/doi/abs/10.1021/jp908299q> Sent with Papers for iPad by mekentosj.com<http://www.mekentosj.com/papers/iphone>

11 years, 11 months

[Aspuru-Guzik group list] MRS abstract deadline tomorrow

by Sule Atahan-Evrenk

for those of you interested: http://www.mrs.org/fall2012/ s.

11 years, 11 months

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aspuru-list June 2012