aspuru-list February 2014

aspuru-list@lists.fas.harvard.edu

32 participants
74 discussions

[Aspuru-Guzik group list] ITAMP topical lunch discussion: Friday, February 14 @ 12:00

by tony.lee＠cfa.harvard.edu

ITAMP Topical Lunch Discussion Date: FRIDAY, February 14 Time: 12:00-1:30 pm Pizza will be served. Location: B-106 @ Center for Astrophysics (60 Garden Street) Directions: after entering the lobby of the CfA, turn right to enter the hallway of the B building. In the hallway, turn right again, and B-106 is there. Speaker: Amitai Bin-Nun Title: Science on Capitol Hill ("Dr. Smith goes to Washington") Abstract: Amitai Bin-Nun spent over 2 years in Washington on a fellowship designed to bring scientists to the nation's capital. He served first in the Department of Energy in the Executive Branch, and then as a Fellow in the office of Senator Chris Coons from Delaware. In this talk, he will give an overview of the federal government and then discuss the process by which laws and funding decisions are made, highlighting the role that scientists can play in the process.

10 years, 2 months

[Aspuru-Guzik group list] [qip] Valentine's Day

by Edward Farhi

Hi Quanta I am still on the road but back at MIT next week. Please go ahead and meet tomorrow, Friday, at 11:00 in 6-310. It would be good if the people who attended QIP in Barcelona could report on the talks. Best, Eddie _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years, 2 months

[Aspuru-Guzik group list] [IACS-events] Reminder: Dean's Lecture on Computational Science with Leslie Greengard, Tomorrow, Feb 14

by Hastings, Meg

Dean's Lecture on Computational Science: Fast, Accurate Tools for Physical and Biophysical Modeling by Leslie Greengard, Simons Foundation and Courant Institute, NYU Friday, February 14, 2014, 12:30-2pm (lunch, 12:30-1pm) Harvard SEAS, Maxwell Dworkin (Room G115), 33 Oxford Street, Cambridge, MA 02138 Attendance is free, no registration required gCal<https://www.google.com/calendar/render?cid=http://www.seas.harvard.edu/cale…> iCal<webcal://www.seas.harvard.edu/calendar/event/75976/feed.ics> Abstract: During the last few years, new algorithms have brought large-scale physical and biophysical modeling within practical reach. The fast multipole method, for example, permits the rapid evaluation of all pairwise interactions in systems of charged particles. If N denotes the number of particles in the system, the cost grows linearly with N rather than quadratically, with million-fold speedups obtained in systems with one billion charges. This is critical, for example, in simulations of electromagnetic phenomena, molecular dynamics, ion channels, and protein-protein interactions. I will give an overview of these methods and their applications, followed by a brief and somewhat speculative discussion of current opportunities at the intersection of applied mathematics, physics, and biology in microscopy, biomedical imaging, systems biology and biophysics. Bio: Leslie Greengard received his Ph.D. degree in Computer Science and his M.D. degree from Yale University in 1987, after completing a B.A. degree in Mathematics at Wesleyan University in 1979. He has been a faculty member at the Courant Institute of New York University since 1989, where he was Director from 2006-20011. He is currently the Director of the Simons Center for Data Analysis at the Simons Foundation, while continuing to serve part-time on the Courant Institute faculty. Greengard and collaborators developed the Fast Multipole Method (FMM) for electromagnetics, the fast Gauss transform for diffusion, and high order accurate methods for a variety of wave propagation problems. He is a member of the National Academy of Sciences and the National Academy of Engineering. *********************************************************** This is a special lecture in the Institute for Applied Computational Science (IACS) seminar series. Upcoming IACS Seminar "Soon Everyone Will Be a 'Data Scientist' or 'Data Explorer.' What Data Systems Will They Be Using?" Stratos Idreos, Assistant Professor of Computer Science, Harvard SEAS Friday, 2/28 12:30-2pm (lunch, 12:30-1pm) in MD G115 gCal<https://www.google.com/calendar/render?cid=http://www.seas.harvard.edu/cale…> iCal<webcal://www.seas.harvard.edu/calendar/event/76121/feed.ics> Please visit http://iacs.seas.harvard.edu/events to subscribe to our Google calendar, manage your subscription to this mailing list, or access video and audio recordings of previous seminars. _______________________________________________ Iacs-events mailing list Iacs-events(a)seas.harvard.edu https://lists.seas.harvard.edu/mailman/listinfo/iacs-events

10 years, 2 months

[Aspuru-Guzik group list] Aspuru Group Meeting today at 2:30 pm

by Felipe Herrera

Dear all, Today is Thomas Markovich's turn to tell us what he is up to. The title and abstract of his talk are below. See you in the Cabot Division Room at 2:30 pm today. Best, Felipe Title: "Excursions in L1 Minimization Methods for Accelerating Chemistry" My talk will be a little bit different from a normal group meeting because it's going to be practice for my Graduate Advising Committee (GAC) meeting. For those not familiar with a GAC meeting, it's basically a yearly PhD status report with my PhD committee but with a slight exam type component to it. As such, please feel free to provide feedback and criticism about not only the science but the presentation. Thanks! In this talk, I will summarize some of the research that I've done in the last year. The narriative will begin with the development of a method for exploring non-adiabatic dynamics beyond the born-oppenheimer picture through the polaron transformation. The presence of a spectral density inspired me to explore environmental and temperature effects in chemistry. With this motivation, I will first describe the calculation of spectral densities and then explore new, efficient, methodologies for their recovery. I will show that, depending on the simulation employed, the computational effort can be reduced by anywhere from a factor of 4 to an order of magnitude. I will then introduce a technique for the efficient computation of thermodynamic quantities, such as entropies, enthalpies, and free energies, in an efficient fashion. By building a correlation function and then decomposing into a physically motivated basis, we are able to efficiently expand into a basis that permits the incorporation of anharmonic effects. The incorporation of anharmonic effects allows us to show that, for a small set of reactions of varied chemistries, we can achieve chemical accuracy.

10 years, 2 months

[Aspuru-Guzik group list] special group meeting on Wednesday, Feb 12 at 3pm, Division Room

by Semion Saikin

Dear Group, This is a reminder that this Wednesday, February 12, we will have a special group meeting with the postdoc candidate David Gelbwaser from Weizmann Institute. The meeting is at 3pm in the Division room. Best, Semion =========================================================== Quantum heat machines efficiency The second law of thermodynamics makes an essential difference between heat and work. Work can be completely transformed to heat in a cyclic process, yet the opposite is not true. While at the classical level there is a standard and well established definition of work, this is not the case at the quantum level. If two quantum systems exchange energy, how is it divided into work and heat? In this talk I will address this question which has important implications on the limits that thermodynamics sets to the performance of quantum devices, in particular to quantum heat machines. D. Gelbwaser-Klimovsky, R. Alicki and G. Kurizki. Work and energy gain of heat-pumped quantized amplifiers, EPL 103, 60005 (2013); D. Gelbwaser-Klimovsky, R. Alicki and G. Kurizki. Minimal universal quantum heat machine, Phys. Rev. E 87, 012140 (2013); D. Gelbwaser-Klimovsky, R. Alicki, and G. Kurizki. Autonomous quantum-controlled refrigerator: performance beyond the classical bound. arXiv:1309.5716 <http://lanl.arxiv.org/abs/1309.5716> [quant-ph] (2013) ===========================================================

10 years, 2 months

[Aspuru-Guzik group list] Fwd: Special Issue on Quantum Image Processing - Quantum Information Processing

by Alan Aspuru-Guzik

Dear all, Please see the attractive invitation to an issue edited by my friend and former group member, Salvador Venegas-Andraca, Best, Alan 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: Dr S.E. Venegas-Andraca <salvador.venegas-andraca(a)keble.oxon.org> Date: Tue, Feb 11, 2014 at 9:05 PM Subject: Special Issue on Quantum Image Processing - Quantum Information Processing To: Alan Aspuru-Guzik <alan(a)aspuru.com>, Alan Aspuru-Guzik < aspuru(a)chemistry.harvard.edu> *Call for Submissions* *Special Issue on Quantum Image Processing* *Quantum Information Processing * Professor Alan Aspuru-Guzik Harvard University Dear Alan, I hope this e-mail finds you well. It is indeed a pleasure to share with you that I am guest editor of a special issue on Quantum Image Processing for the journal Quantum Information Processing ( http://www.springer.com/journal/11128). Our goal for this special issue on Quantum Image Processing is to publish a selected collection of papers reflecting the state of the art on theoretical and experimental results on the various aspects of image processing using quantum-mechanical computers/devices, including: - Image storage and retrieval protocols on quantum systems. - Quantum algorithms for image processing. - Experimental realizations of quantum protocols/algorithms for processing visual information, i.e. quantum imaging, quantum image processing experiments and related areas. - Applications of quantum image processing (e.g. computer vision, surveillance, computational geometry). - Classical computer languages/software for simulating quantum image processing protocols/algorithms. - Quantum algorithms from areas with potential impact on quantum image processing, e.g. quantum pattern recognition, quantum clustering and quantum cryptography. Papers from these areas should exemplify how proposed quantum algorithms could be applied in the field of quantum image processing. The purpose of this e-mail is to invite you and your group members to submit a paper presenting original and unpublished research results. Moreover, please share this call for participation with your full research network as you deem fit. - Publishing policies for Quantum Information Processing and Instructions for Authors can be found at the link http://www.springer.com/journal/11128 - For online article submission, authors need to register at http://www.editorialmanager.com/qinp/ - All submissions must be made through the online submission system by 30 May 2014 at the following link: http://www.editorialmanager.com/qinp/. When submitting, please remember to choose "S.I. Quantum Image Processing" as article type. - All submitted manuscripts will be peer-reviewed, be judged by at least two referees on technical merit, and be handled by the editor in charge of the issue. Notification of Acceptance/Rejection will be made on August 2014 at the latest. - Authors should revise their papers within one month of acceptance. Thus, revised and final version of your manuscript(s) should be submitted online in September 2014 at the latest. Please, let me know your decision at your earliest convenience. Of course, please contact me if further information is needed. Cordially yours, Salvador -- Salvador E. Venegas-Andraca, DPhil (Oxon) Guest Editor of Quantum Information Processing, special issue on Quantum Image Processing. Assistant Professor of Mathematics and Computer Science Monterrey Institute of Technology-State of Mexico Campus | www.cem.itesm.mx +52(55)32324130 http://www.mindsofmexico.org/sva salvador.venegas-andraca(a)keble.oxon.org

10 years, 2 months

[Aspuru-Guzik group list] Food in the kitchen

by Cynthia M. Chew

Leftovers from the Faculty Meeting are in the kitchen. Come and dine like faculty! Cynthia M. Chew Faculty Assistant | Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology | Harvard University 12 Oxford Street | Mallinckrodt 112 | Cambridge, MA 02138 617.496.1716 office | 617.496.9411 fax http://aspuru.chem.harvard.edu/

10 years, 2 months

[Aspuru-Guzik group list] [qip] lunch today

by aram harrow

Dear quanta, Is Tuesday a good time for (some of) us to get together for lunch? Let's find out! I propose that (today) those who want trucks leave at noon from the 3rd floor of the CTP aiming to return around 12:15 (for those who brought their own lunch). aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years, 2 months

[Aspuru-Guzik group list] Code Sharing meeting RESCHEDULED - 2/26/14 @1pm

by Tim Hirzel

Hi All, There is an interesting workshop that conflicts with the original meeting time. The first code sharing meeting will now be one week later on Wednesday Feb 26th at 1pm. Thanks, Tim ps. Register for said workshop (and free lunch) here: http://www.chemcomp.com/Workshops-North_America.htm

10 years, 2 months

[Aspuru-Guzik group list] Fwd: Boston Physical Biologist Hangout - Feb 13 @ MIT

by Semion Saikin

Is anybody imnthe group interested in biophysics talks? ---------- Forwarded message ---------- From: Conor McClune <cmcclune(a)mit.edu> Date: Mon, Feb 10, 2014 at 9:10 PM Subject: Boston Physical Biologist Hangout - Feb 13 @ MIT Boston Area Physical Biologists, The fourth of our monthly physical biology hangouts will take place at MIT this Thursday Feb 13 at 6pm. As usual, we will have four 15 minute talks and dinner will be provided. This month's speakers will be representing the Shakhnovich<http://faculty.chemistry.harvard.edu/shakhnovich/pages/research> lab, theLukin <http://lukin.physics.harvard.edu/research/> lab, the Paulsson<http://paulsson.med.harvard.edu/> lab and the (Jonathan) King <http://web.mit.edu/king-lab/www/> lab. Following the talks, please join your fellow biophysicists for a beer on us. When: Thursday, Feb 13 at 6pm Where: Pappalardo room (4-349 <http://whereis.mit.edu/?go=4>), MIT What: Chance to hear about biophysics research and chat in an informal environment. We look forward to seeing you there, The MIT Biophysics GSC

10 years, 2 months

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aspuru-list February 2014