aspuru-list January 2014

aspuru-list@lists.fas.harvard.edu

21 participants
58 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.

9 years, 11 months

[Aspuru-Guzik group list] ITAMP topical lunch discussion: Friday, January 31 @ 12:00

by tony.lee＠cfa.harvard.edu

ITAMP Topical Lunch Discussion Date: FRIDAY, January 31 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: Arghavan Safavi (MIT) Title: Using Worm algorithm to study many body physics of dipoles in layered geometries Abstract: The experimental success of trapping polar molecules and atoms with magnetic dipolar moments allows us to study many body systems where dipole-dipole interactions are significant. In this talk I will introduce path integral Quantum Monte Carlo, using the Worm algorithm, and use it to study the ground state phase diagram of dipolar bosons in a two-dimensional lattice. I will then describe how the Worm algorithm can be modified to study pairing in a bilayer geometry. This extension to the Worm algorithm allows us to study the many body phases of these pairs. Finally I will describe the multiworm algorithm, which allows for the efficient study of chain formation in multilayered geometries. I will show how one can use this algorithm, in addition to analytical techniques such as bosonization, to study the physics of a stack of one-dimensional tubes of dipolar bosons.

10 years, 2 months

[Aspuru-Guzik group list] [IACS-events] REMINDER: IACS Seminar featuring Bo Peng (Data Scope Analytics) on FRIDAY, 1/31

by Baker, Natasha

Date: Friday, January 31, 2014 Location: Maxwell-Dworkin G115, 33 Oxford Street, Cambridge, MA 02138 Speaker: Bo Peng, Data Scope Analytics Time: Informal lunch with speaker, 12:30pm. Talk, 1:00pm Title: Data Science and Design: Fickleness and How We Solve it Abstract: When solving problems, data scientists often encounter added layers of complexity when the problems to be solved are not well defined, and their solutions unclear. In these cases, standard, more straightforward approaches fall short, as they are not amenable to vague problems, and are thus not guaranteed to reliably produce useful results. At Datascope Analytics, we adopt methodologies from the design community and use a "continuous feedback loop" to iteratively improve dashboards, algorithms, and data sources to ensure that the resulting tool will be useful and well received. During this talk, I will illustrate our approach by sharing a detailed example from one of our projects with Procter & Gamble. I will end by showing a live demo version of our final visualization tool, using movie data from the Internet Movie Database (IMDB). Speaker bio: Bo Peng has been a Data Scientist at Datascope Analytics since 2012. She has contributed to a variety of in-house apps such as Lunch? and Cheating Commish, in addition to projects for clients such as P&G, Thomson Reuters, and other well-known companies. She is passionate about exploring the root issues behind relevant problems, then using data to find solutions that ultimately improve the way people work and think. Bo received a BS in mathematics and a MS in statistics, both from The University of Chicago. *********************** UPCOMING SEMINARS 2/14 Leslie Greengard (NYU) 2/28 Stratos Idreos (Harvard SEAS) 3/7 Johan Bollen (Indiana University) 3/14 Raul Jimenez (University of Barcelona) 3/28 Devavrat Shah (MIT) 4/4 Yaron Singer (Harvard SEAS) 4/11 Hadley Wickham (R Studio & Rice University) 4/25 Spiros Mancoridis (Drexel University) 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] Reminder: PChem seminar tomorrow Anatole von Lilienfeld

by Martin Blood-Forsythe

Dear colleagues, Just a quick reminder about tomorrow's PChem seminar with Anatole von Lilienfeld at 4:15pm in Pfizer Auditorium. Best wishes, -Martin Title: "Quantum Machine": Supervised learning of Schrödinger's equation in chemical compound space Abstract: Many of the most relevant chemical properties of matter depend explicitly on atomistic details, rendering an atomistic resolution of any employed simulation model mandatory. Alas, even when using high-performance computing, brute force high-throughput screening is beyond any capacity for all but the simplest systems and properties due to the combinatorial nature of chemical compound space (compositional, constitutional, and conformational isomers). Consequently, when it comes to the computational design of properties or systems that require first principles calculations, a successful optimization algorithm must not only make a trade-off between sufficient accuracy of applied models and computational speed, but must also aim for rapid convergence in terms of number of compounds visited. In this talk I will discuss recent contributions related to the former aspect. More specifically, we developed statistical models to predict quantum mechanical observables based on supervised learning of the electronic Schrodinger equation in chemical space. Our results suggest that out-of-sample molecules in interpolating regimes of chemical space can be predicted with an accuracy that comes close to ``chemical accuracy'' (~1 kcal/mol), highly sought-after in thermo-chemistry and other branches of chemistry, at a fraction of the computational cost.

10 years, 2 months

[Aspuru-Guzik group list] [qip] Friday the 31st

by Edward Farhi

Hi Quanta We will meet on Friday this week at 11:00 in 6-310. Cedric, Elizabeth and Han-Hsuan will present some recent results. 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, 2 months

[Aspuru-Guzik group list] [Aspuru-meetings-list] group meeting this Thursday: Dr. Takatoshi Fujita

by Ryan Babbush

Hey everyone, This Thursday at 2:30pm in the Division Room, Taka will tell us about his current research. An abstract for his talked is included below. ============== The Chlorosome is the largest and most efficient light-harvesting antenna complex found in green sulfur bacteria. In this group meeting, I will talk about a model for exciton dynamics in the chlorosome. I will first focus on excitonic couplings and revise them by comparing simulated optical properties with experiments. Next, I will turn to transport properties and discuss energy transfer timescales. Characteristic timescales of coherent and incoherent transfer are extracted and compared with experimental data from pump-probe spectroscopy. _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list

10 years, 2 months

[Aspuru-Guzik group list] [IACS-events] Join us for the first HAPPY HOUR of the semester, FRIDAY, 1/31@4:30pm (NEW TIME & LOCATION)

by Baker, Natasha

IACS HAPPY HOUR!!! [chinese-new-year-of-the-horse-16324816.html.jpg] WELCOME BACK! Make sure to stop by on Friday afternoon so we can chat, catch up, and celebrate the Chinese New Year! FRIDAY, 1/31 4:30-5:30PM LOCATION: Harvard SEAS, 52 Oxford Street, Northwest B154 (Daniel's Office), Cambridge, MA--- MAP<https://email.seas.harvard.edu/owa/UrlBlockedError.aspx> Cheers, Natasha Natasha Baker Administrative Coordinator Institute for Applied Computational Science Harvard University School of Engineering and Applied Sciences Tel: 617-496-2623 _______________________________________________ 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] [qip] FW: Reminder: 1/28 Condensed Matter Physics Seminar: Evert van Nieuwenburg

by Yoav Lahini

Dear Quanta, You might remember Evert, a visitor from ETH that presented briefly last Friday in the group meeting. He will be giving a talk tomorrow on his work (noon at 4-331, see below) You are all invited. Best, Yoav From: Margaret E O'Meara [mailto:momeara@MIT.EDU] Sent: Monday, January 27, 2014 5:01 PM To: cmt_seminar; chezpierre(a)mit.edu Subject: Reminder: 1/28 Condensed Matter Physics Seminar: Evert van Nieuwenburg Reminder: Condensed Matter Physics Seminar by Evert van Nieuwenberg Tomorrow (1/28) at noon Please join us at noon on Tuesday, January 28th, for a Condensed Matter Physics Seminar by Evert van Nieuwenberg. The seminar will be held in the Duboc Seminar Room (4-331). Please see details below: Speaker: Evert van Nieuwenburg (ETH Zurich) Title: Mixed State Topology in a non-Integrable Spin-chain Abstract: We study a non-integrable spin-chain model with a symmetry protected topological phase. The question of the stability of this topological phase when driven out of equilibrium is addressed via a concept similar to the entanglement spectrum. Before reaching a steady state, the mixed states in the transient regime remain in a topological phase. Date: January 28, 2014 Time: 12:00 noon Location: 4-331 Host: Yoav Lahini (Pizza and soda will be available at 11:45.) _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years, 2 months

[Aspuru-Guzik group list] [IACS-events] MARK YOUR CALENDAR: IACS Seminar featuring Bo Peng (Data Scope Analytics) on FRIDAY, 1/31

by Baker, Natasha

Date: Friday, January 31, 2014 Location: Maxwell-Dworkin G115, 33 Oxford Street, Cambridge, MA 02138 Speaker: Bo Peng, Data Scope Analytics Time: Informal lunch with speaker, 12:30pm. Talk, 1:00pm Title: Data Science and Design: Fickleness and How We Solve it Abstract: When solving problems, data scientists often encounter added layers of complexity when the problems to be solved are not well defined, and their solutions unclear. In these cases, standard, more straightforward approaches fall short, as they are not amenable to vague problems, and are thus not guaranteed to reliably produce useful results. At Datascope Analytics, we adopt methodologies from the design community and use a "continuous feedback loop" to iteratively improve dashboards, algorithms, and data sources to ensure that the resulting tool will be useful and well received. During this talk, I will illustrate our approach by sharing a detailed example from one of our projects with Procter & Gamble. I will end by showing a live demo version of our final visualization tool, using movie data from the Internet Movie Database (IMDB). Speaker bio: Bo Peng has been a Data Scientist at Datascope Analytics since 2012. She has contributed to a variety of in-house apps such as Lunch? and Cheating Commish, in addition to projects for clients such as P&G, Thomson Reuters, and other well-known companies. She is passionate about exploring the root issues behind relevant problems, then using data to find solutions that ultimately improve the way people work and think. Bo received a BS in mathematics and a MS in statistics, both from The University of Chicago. *********************** UPCOMING SEMINARS 2/14 Leslie Greengard (NYU) 2/28 Stratos Idreos (Harvard) 3/7 Johan Bollen (Indiana University) 3/14 Raul Jimenez (University of Barcelona) 3/28 Devavrat Shah (MIT) 4/4 Yaron Singer (Harvard) 4/11 Hadley Wickham (RStudio & Rice) 4/25 Spiros Mancoridis (Drexel) 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] Welcome Jennifer Wei

by Alan Aspuru-Guzik

Dear group members, Let's welcome Jennifer Wei to the group after her rotations! She will be working with us in the exciting question of predicting molecular stability. This problem spans many application areas including OLED, flow batteries and OPV. Alan PS. Jacob: I keep you busy with website duties non-stop. 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

10 years, 2 months

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aspuru-list January 2014