aspuru-list June 2015

aspuru-list@lists.fas.harvard.edu

19 participants
32 discussions

by Luongo, Amanda

Hey guys, We just had some paper delivered to our office! So if one representative from each office could come up and grab a couple of reams, that would be wonderful. If you think you need more talk to James as he is our paper and toner guru!! Thanks :) Amanda ___________________ Amanda Luongo Faculty Assistant Aspuru-Guzik Group Harvard University Department of Chemistry and Chemical Biology 12 Oxford St. M 136 Cambridge, MA 02138 P: (617) 496-1716<tel:%28617%29%20496-1716> F: 617-496-9411<tel:617-496-9411>

8 years, 9 months

[Aspuru-Guzik group list] Reminder: This Thursday's Group Meeting is at 11 AM

by Ian Kivlichan

Hi all, Just an early reminder that this week's group meeting will be Thursday at 11 AM, rather than at the usual 2:30 PM. Abstract to follow later. Also, you can find the current group meeting schedule here ( https://docs.google.com/spreadsheets/d/1LioqdopHr5ZAmn0GaCQwLUTYoU4ZJuvfrMY… ) - note that this link has changed since I last sent it out, so please re-bookmark it! All the best, Ian

8 years, 9 months

[Aspuru-Guzik group list] Postdoc positions at NETL

by Suh, Changwon

Dear friends, FYI. I got this email from my friend, Dr. Janice Ann Steckel at NETL (National Energy Technology Laboratory). I can tell you that a fairly large proportion of the current NETL staff started at NETL as a post-doc. Best, Suh, Changwon Harvard University about.me/csuh<http://about.me/csuh> Begin forwarded message: I am currently searching for two post-docs. I have attached the descriptions to this mail. One of the positions is more MD tool development, but the other post-doc (co-advised by Chris Wilmer of the University of Pittsburgh) will be in charge of creating a high-throughput screening project for carbon capture. One application at ORISE is sufficient for both projects. Best, Jan Steckel (this e-mail is from my Pitt address (steckelj(a)pitt.edu<mailto:steckelj@pitt.edu>); my netl address is steckel(a)netl.doe.gov<mailto:steckel@netl.doe.gov>)

8 years, 9 months

[Aspuru-Guzik group list] Fwd: PHYS Executive Committee Meeting and Dinner in Boston, August 16 @ 5:30pm

by Alan Aspuru-Guzik

---------- Forwarded message ---------- From: *T. Daniel Crawford* <crawdad(a)vt.edu> Date: Friday, June 26, 2015 Subject: PHYS Executive Committee Meeting and Dinner in Boston, August 16 @ 5:30pm To: Angela Wilson <akwilson(a)unt.edu>, Ralf Kaiser <ralfk(a)hawaii.edu>, Arthur Suits <asuits(a)chem.wayne.edu>, Greg Engel <gsengel(a)uchicago.edu>, Kimberly Hamad-Schifferli <schiffer(a)mit.edu>, Reggie Hudson < reggie.hudson(a)nasa.gov>, Ellen Stechel <ellen.stechel(a)asu.edu>, Guofeng Wang <guw8(a)pitt.edu>, Berend Smit <Berend-Smit(a)berkeley.edu>, Roseanne Sension <rsension(a)umich.edu>, Stacy Bent <sbent(a)stanford.edu>, Teresa Head-Gordon <thg(a)berkeley.edu>, Joan-Emma Shea <shea(a)chem.ucsb.edu>, Michael Duncan <maduncan(a)uga.edu>, Ned Sibert <sibert(a)chem.wisc.edu>, Nancy Levinger <nancy.levinger(a)colostate.edu>, Theresa Windus <twindus(a)iastate.edu>, Rob Walker <rawalker(a)chemistry.montana.edu>, Heather Allen < allen.697(a)osu.edu>, Lauren Webb <lwebb(a)cm.utexas.edu>, Qiang Cui < cui(a)chem.wisc.edu>, Anna Krylov <krylov(a)usc.edu>, Linda Peteanu < peteanu(a)cmu.edu>, David Nesbitt <djn(a)jila.colorado.edu>, Joel Bowman < jmbowma(a)emory.edu>, Alan Aspuru-Guzik <alan(a)aspuru.com>, Yue Qi < yueqi(a)egr.msu.edu>, Stephen Harris <harris.steveharris(a)gmail.com>, Jan Steckel <steckel(a)netl.doe.gov>, Martin Head-Gordon < mhg(a)bastille.cchem.berkeley.edu>, Kirk Peterson <kipeters(a)wsu.edu>, Franz Geiger <geigerf(a)chem.northwestern.edu>, Steven Corcelli <scorcell(a)nd.edu>, "Timothy J. Lee" <Timothy.J.Lee(a)nasa.gov>, Laura Gagliardi < gagliardi(a)umn.edu>, Steven Wheeler <wheeler(a)chem.tamu.edu> Cc: "Good, Laurie" <laurieg(a)vt.edu> Dear Members of the PHYS Executive Committee: The purpose of this email is to provide you with information regarding PHYS activities at the upcoming Boston ACS meeting, August 16-20, so that you may finalize your travel plans: *(1)* *Technical Symposia: * All PHYS sessions will be held at the Boston Convention and Exhibition Center ( http://massconvention.com/about-us/contact-us/boston-convention-exhibition-… <http://denverconvention.com/>). *(2) Executive Committee Meeting:* The meeting will start promptly at 5:30 pm on Sunday, August 16th, in Room 102A of the Boston Convention and Exhibition Center. Dinner will follow at approximately 8:00 pm on the outdoor patio of The Daily Catch (http://thedailycatch.com), which is about 15 minutes’ walk from the meeting. Please let my assistant, Laurie Good ( acspchem(a)vt.edu <javascript:_e(%7B%7D,'cvml','acspchem(a)vt.edu');>), know if you plan to attend the dinner by August 4th so we can provide accurate numbers. Please also indicate if you’d prefer a vegetarian option. A map identifying locations relevant to PHYS activities in Boston can be found here: https://www.google.com/maps/d/edit?mid=zTkwdvXk-2ZE.kWi7mxj_vojU&usp=sharing <http://bit.ly/1Ap7Bds> *(3) Meeting Agenda:* A few days before the meeting I will send relevant materials for your consideration, including the full agenda and minutes from the Denver meeting last spring. *(4) Symposia Suggestions:* If you have suggestions for symposia (and organizers) that you would like to be considered for future national meetings, please bring them to Boston or communicate with the 2017 Program Chair, Joan Shea. Thank you all for your service to the PHYS division. I look forward to seeing you in Boston on Sunday, August 16th. Best regards, -Daniel P.S. My cell phone number is 540-449-3365 and Laurie's is 540-808-7315, in case you need to contact one of us. -- Prof. T. Daniel Crawford Secretary/Treasurer ACS Physical Chemistry Division crawdad(a)vt.edu <javascript:_e(%7B%7D,'cvml','crawdad(a)vt.edu');> -- Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru

8 years, 9 months

[Aspuru-Guzik group list] [qip] TALK Monday, June 29, 1:30pm in 6C-442 by Steve Flammia

by Aram Harrow

Monday, June 29, 1:30pm 6C-442 Speaker: Steve Flammia, U Sydney Title: Fast algorithms for distinguishing topological phases Abstract: Topological phases live at the frontier of our understanding of the low-energy properties of quantum many-body systems. Under plausible physical assumptions, it is believed that such systems are classified abstractly in terms of tensor categories, but it remains to find efficiently computable invariants that uniquely identify the phase given only a candidate Hamiltonian. Here we use the natural connection between topological quantum phases and quantum error-correcting codes to propose a class of invariants that can distinguish abelian topological phases without computing ground states, reduced density operators, topological entropy, excitation spectra, or other "hard to compute" functions of the phase. These invariants are related to Haah's invariants for commuting Hamiltonians, but apply to any gapped Hamiltonian and without any need for computing expectations with respect to ground state wavefunctions. The invariant can be computed by optimizing a one-dimensional cost function using DMRG, which provides a fast heuristic that allows us to distinguish phases that cannot be distinguished using e.g. topological entanglement entropy. Time permitting, I will discuss applications to the theory of quantum error correction and topological quantum computation, as well as possible extensions to the case of nonabelian topological order. This is joint work with Jacob Bridgeman (Sydney) and David Poulin (Sherbrooke). _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

8 years, 9 months

[Aspuru-Guzik group list] [qip] Friday June 26

by Edward Farhi

Dear Quanta We will meet on Friday the 26th at 11:00 in our usual spot. Our visitor Rotem Arnon Friedman will give a brief presentation and at 1:30 we will have a seminar by Marco Tomamichel. See you then. 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

8 years, 9 months

[Aspuru-Guzik group list] Fwd: Mozilla Science Lab Fellowships

by Mostame, Sara

FYI __________________________________ Sarah Mostame, Ph.D. Atomic and Molecular Physics Department Smithsonian Astrophysical Observatory Harvard University 60 Garden Street, Office B327 Cambridge, MA 02138 mostame(a)cfa.harvard.edu http://mostame.com ___________________________________________________________ Hi folks, We're very excited to announce that *applications are now open* for three paid fellowship positions at the Mozilla Science Lab. The Fellows will have the opportunity to pursue projects that advance and support open science at their home institutions, with support and mentorship from the Science Lab and our broader community. Details can be found: On the website: https://www.mozillascience.org/fellows and on the blog: https://www.mozillascience.org/advancing-open-data-practice-within-institut… We're very keen to hear how *you* want to champion openness in science and research - applications close August 14, so please apply today! -- Best Regards, Bill Mills Community Manager Mozilla Science Lab

8 years, 9 months

[Aspuru-Guzik group list] Group Meeting, June 25, 2:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow's group meeting will be given by Ed. The title and abstract are included inline after this message. Best, Ian ------------------------------------- SPEAKER: Ed Pyzer-Knapp TITLE: Machine Learning in High Throughput Virtual Screening ABSTRACT: With the ever increasing size of data sets enabled by the expansion of high throughput virtual screening, it becomes necessary to find creative ways to turn data into knowledge. I will demonstrate a number of different approaches to this challenge using methods inspired from the field of machine learning and information theory, and talk about how to choose the right solution for a range of problems. I will also discuss the importance of putting predictions in the context of the predictive variance. Finally I will demonstrate how we have integrated these techniques into improving the generation and interrogation of molecular libraries.

8 years, 9 months

[Aspuru-Guzik group list] Free GPU

by Sawaya, Nicolas

Those of you who use GPU-based software: we have two new Titan X GPU's (http://www.geforce.com/geforce-gtx-titan-x/buy-gpu) given to us by NVIDIA. Let me know if you want one for your desktop. nico

8 years, 9 months

[Aspuru-Guzik group list] Fwd: Talk of possible interest to Center for Excitonics

by Alan Aspuru-Guzik

Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: Justin Caram <jcaram(a)mit.edu> Date: Tue, Jun 23, 2015 at 8:55 AM Subject: Talk of possible interest to Center for Excitonics To: "efrc-faculty(a)mit.edu" <efrc-faculty(a)mit.edu>, "excitonics-sp(a)mit.edu" < excitonics-sp(a)mit.edu> Hi all, I invited a former labmate of mine to give an informal talk. It may be of interest to members of the center. It will be this Friday (June 26) at 11:00 in 6-321 (Moore Room). Here is the abstract. --Justin Caram ________________________________ Two-Dimensional Electronic Spectroscopy In Highly Scattering Media Reveals Energy Transfer Events In Living Rhodobacter sphaeroides Efficient exciton transport over large distances through polymer networks is an open problem in chemistry with applications to solar harvesting, and efficient lighting. However, photosynthetic organisms routinely perform exciton transport over distances greater than 100 nm with nearly 100% quantum efficiency. Furthermore they exhibit real time control over energy transfer pathways in order to both optimize light harvesting and protect the organism from excess excitation. Understanding the design principles within photosynthetic energy transfer begins with the ability to observe these ultrafast processes in living organisms. I will present advances in two-dimensional electronic spectroscopy (2DES) that permit the acquisition of 2DES signals in the presence of intensely scattered light. These advances have made possible the observation of energy transfer at room temperature in living cells of Rhodobacter sphaeroides, a purple bacterium known for its high quantum efficiency. Timescales of 50 fs - 200 ps are recovered in a single experiment exhibiting both intra and inter complex relaxation and transfer. Further 2DES experiments done in fast succession (~ every 15 min) were performed to capture real time changes to the energy transfer pathways in response to oxygen and intense light.

8 years, 9 months

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aspuru-list June 2015