aspuru-list February 2018

aspuru-list@lists.fas.harvard.edu

14 participants
32 discussions

[Aspuru-Guzik Group List] [qip] Fwd: IAS workshop on Optimization, Complexity and Invariant Theory, June 4-8 2018

by Aram Harrow

Dear quanta, The theme of workshop in Princeton is best described as "what Avi Wigderson has been thinking about lately" and it has some interesting overlaps with quantum information theory. It is free but Apr 15 is the registration deadline. In other TCS-relevant news, Boaz Barak is speaking at Harvard (20 Garden st) this Friday afternoon (1:30pm-4:30ish) about the recent proof of the 2-to-2 conjecture (related to unique games). This is not quantum at all but just big TCS news. -aram ---------- Forwarded message ---------- From: Avi Wigderson <avi(a)ias.edu> Date: Wed, Feb 14, 2018 at 12:21 PM Subject: IAS workshop on Optimization, Complexity and Invariant Theory, June 4-8 2018 To: Dear friends, Please advertize this workshop in your institution. https://www.math.ias.edu/ocit2018 Thanks, Avi _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

5 years, 11 months

[Aspuru-Guzik Group List] ITAMP Lunch Seminar (Nov. 9th) - John Sous, University of British Columbia

by Hannes Pichler

Speaker: John Sous, (University of British Columbia) Date: Thursday, November 9th Time: 12:00-1:00 pm Includes Pizza. Title: Phonon-mediated repulsion, sharp transitions and (quasi)self-trapping in the extended Peierls-Hubbard model Abstract: Particle-phonon coupling is generically expected to lead to a screening of the bare particle-particle interactions. If low-energy overscreening occurs, the resulting attractive interactions are responsible for conventional superconductivity as described by the Bardeen-Cooper-Schrieffer theory. I will demonstrate that Peierls-type particle-phonon coupling not only leads to an enhanced repulsion between identical fermions/hard-core bosons, but also generates an additional effective interaction not of density-density type and thus not involved in screening. This interaction moves pairs of neighbor particles as a whole; this has unusual consequences such as a (quasi)self-trapping transition for a bound pair even when the individual particles are very mobile. These results open new directions in the study and understanding of the effects of particle-boson coupling, relevant for understanding behavior in Physics, e.g. in quantum materials; Chemistry, e.g. in optoelectronic processes; and Biology, e.g. in photosynthesis and DNA. 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, B-106 will be at the end of the hallway on the left side.

5 years, 12 months

[Aspuru-Guzik Group List] ITAMP/HQOC student&postdoc lunch

by Hannes Pichler

Dear students and postdocs, tomorrow, Wednesday, November 15th, we will take this week’s ITAMP/HQOC speaker Tongcang Li out for lunch at Russel House Tavern. If you would like to join, please sign up via the following link (limited to 8 people): https://docs.google.com/spreadsheets/d/1aY3B6-XNLVZFr6iX502cG36IuJ7IFTKp6Pf… We meet at LISE cafe at 11:40. Best, Hannes

6 years

[Aspuru-Guzik Group List] EXCITONICS SEMINAR: Alessandro Troisi, Tues. Mar 6 at 4:30, 36-428

by Catherine M Bourgeois

Center for Excitonics presents: Less is more: model reduction for exciton and charge transport in molecular materials March 6, 2018 at 4:30pm/36-428 Alessandro Troisi University of Liverpool/Department of Chemistry [http://www.rle.mit.edu/excitonics/wp-content/uploads/2017/08/troisi4.jpg] We present a common strategy to address questions concerning the charge and energy transfer in organic molecular materials and aggregates. This is based on the construction of reduced (predictive) models from (detailed) atomistic one. We will argue that, somewhat counterintuitively, by removing chemical detail from the model one can more easily perform chemical predictions or derive chemical rules. The topic considered in this lecture include (i) the definition of a map of all organic semiconductors for charge transport; (ii) the desirable properties of electron acceptors in organic solar cells; (iii) the degree of structural fine tuning that can be observed in natural light harvesting complexes. Alessandro Troisi received his PhD in Physical Chemistry in 2001 from the University of Bologna for his research on the charge transfer reactions in condensed phases. As a postdoctoral researcher at Northwestern University in Mark Ratner's group, he worked on single molecule electronics. During this time, he also studied electron transport through flexible molecules and developed a model for inelastic tunneling spectroscopy. In 2004-2005, he was a research fellow at the University of Bologna studying the charge transport mechanism in organic solid crystals. In October 2005, he joined the Department of Chemistry at the University of Warwick as a Research Council UK Fellow and in 2010 as a Professor until 2017. Currently, he is a Professor of Chemistry at the University of Liverpool. He has received numerous awards including the Marlow Award of the Royal Society of Chemistry, the ERC - Starting Investigator Award (2009) and the ERC - Consolidator Grant (2013). LIGHT REFRESHMENTS WILL BE SERVED The Center For Excitonics Is An Energy Frontier Research Center Funded By The U.S. Department Of Energy, Office Of Science And Office Of Basic Energy Sciences

6 years, 1 month

[Aspuru-Guzik Group List] [qip] Fwd: [wam_seminars] 3/20 Dan Spielman Public Talk

by Ramis Movassagh

fyi... ---------- Forwarded message ---------- From: Sarah LaBauve <slabauve(a)math.harvard.edu> Date: Wed, Feb 28, 2018 at 2:36 PM Subject: [wam_seminars] 3/20 Dan Spielman Public Talk To: Sarah LaBauve <slabauve(a)math.harvard.edu> Cc: "Maloney, Ryan" <rmaloney(a)math.harvard.edu> *Prof. Daniel A. Spielman of Yale University will be giving a public talk on “The Laplacian Matrices of Graphs: Algorithms and Applications” on Tuesday, March 20@5:00pm in Askwith Hall. This This talk is part of the Program on Combinatorics and Complexity <http://cmsa.fas.harvard.edu/combinatorics/> hosted by the CMSA during the current academic year.* *Abstract:* The Laplacian matrices of graphs arise in many fields, including Machine Learning, Computer Vision, Optimization, Computational Science, and of course Network Analysis. We will explain what these matrices are and why they appear in so many applications. We then survey recent ideas that allow us to solve systems of linear equations in Laplacian matrices in nearly linear time, emphasizing the utility of graph sparsification—the approximation of a graph by a sparser one—and a recent algorithm of Kyng and Sachdeva that uses random sampling to accelerate Gaussian Elimination. -- You received this message because you are subscribed to the Google Groups "SEAS wam_seminars" group. To unsubscribe from this group and stop receiving emails from it, send an email to wam_seminars+unsubscribe(a)seas.harvard.edu. Visit this group at https://groups.google.com/a/seas.harvard.edu/group/wam_ seminars/. Sarah LaBauve Administrator Center of Mathematical Sciences and Applications Harvard University Room 103, 20 Garden Street Cambridge, MA slabauve(a)math.harvard.edu, 617-496-5421 <(617)%20496-5421> -- You received this message because you are subscribed to the Google Groups "SEAS wam_seminars" group. To unsubscribe from this group and stop receiving emails from it, send an email to wam_seminars+unsubscribe(a)seas.harvard.edu. Visit this group at https://groups.google.com/a/seas.harvard.edu/group/wam_ seminars/. -- Ramis _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

6 years, 1 month

[Aspuru-Guzik Group List] Toronto - Visas

by Felixander Negron

Good morning, For those of you who are planning on moving to Toronto and will require a visa, please send me an email. I am putting together contact information to send to University of Toronto so that they may contact you directly. Best, Felix *Felixander Negron* *Laboratory Administrator * *Aspuru-Guzik Group* *Harvard University * *Department of Chemistry and Chemical Biology* *12 Oxford St. M 136* *Cambridge, MA 02138* *P:** (617) 496-9964** F: **617-496-9411*

6 years, 1 month

[Aspuru-Guzik Group List] Fwd: Abstract and title for AI and machine learning symposium talk

by Alan Aspuru-Guzik

Dear all, FYI, see symposium below. I will be a speaker. Alan ---------- Forwarded message ---------- From: *Engelhardt, Dalit* <dengelhardt(a)fas.harvard.edu> Date: Monday, February 26, 2018 Subject: Abstract and title for AI and machine learning symposium talk To: Alan Aspuru-Guzik <alan(a)aspuru.com> Dear Alán, Great, thank you for sending. By the way, if you’d like to forward the symposium registration link to anyone interested, it is https://www.eventbrite.com/e/the-impact-of-machine- learning-and-ai-in-academic-research-tickets-43079832940. I look forward to your talk, Dalit — Dalit Engelhardt Postdoctoral Fellow Department of Chemistry and Chemical Biology Harvard University On Feb 26, 2018, at 6:41 PM, Alan Aspuru-Guzik <alan(a)aspuru.com> wrote: Dear Dalit, Sorry, I have been uber busy with tons of work. Here it goes: *Do Androids Dream of Electric Molecules?* Alan Aspuru-Guzik Professor Department of Chemistry and Chemical Biology Molecules and materials are key to improving our quality of life. New molecules and materials can have a significant impact on the efficiency of renewable energy technologies or in therapeutics. Our research group is interested in the combined use of high-throughput methodology, artificial intelligence, and robotics as means to accelerate the process of molecular discovery. In this talk, I will overview our work on generative models for chemistry. I will review our recent work on autoencoders and generative adversarial networks. Thank you for your patience, Alan On Monday, February 26, 2018, Engelhardt, Dalit <dengelhardt(a)fas.harvard.edu> wrote: > SaneAttachments has copied these files to *Dropbox* > <SaneAttachments.png> > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.sanebox.com_-3Futm…> > > AI and ML Symposium.pdf > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.dropbox.com_s_08cf…> > Dropbox/SaneBox/Engelhardt, Dalit/Abstract and title for AI and machine > lea_, 2018-02-26 05.35.58 PM/ > > Note: SaneBox was unable to remove all of the attachments and as a result > the original files are still included. > Hi Alán, > > Could you please send me your talk title and abstract as soon as you have > those? We would like to finalize our symposium booklet that is to be > distributed to all registrants before the symposium. Your talk is scheduled > to be at 4:15 pm (20-minute talk to be followed by up to 10 minutes of > questions, as we’d like to leave plenty of room for discussion). If you are > able to, we very much hope that you will be able to join us for the > reception at 6 pm. > > I am attaching the symposium announcement flyer for your reference. > > Best wishes, > > Dalit > > > — > Dalit Engelhardt > Postdoctoral Fellow > Department of Chemistry and Chemical Biology > Harvard University > > -- Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M138 | Cambridge, MA 02138 <https://maps.google.com/?q=12+Oxford+Street,+Room+M138+%7C+Cambridge,+MA+02…> (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru <https://urldefense.proofpoint.com/v2/url?u=http-3A__about.me_aspuru&d=DwMFa…> -- Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M138 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru

6 years, 1 month

[Aspuru-Guzik Group List] [qip] Thurs, Fri meetings

by Aram Harrow

Hi everyone, As I mentioned before, on Thursday there will be a meeting in the 4th-floor seminar room in the CTP, as part of a kickoff of two ARO grants. Friday will be another kickoff meeting at IBM Watson (in Yorktown Heights, NY). If you plan to come, can you please put your name on this doodle poll? https://doodle.com/poll/iakc3iawvx64bimv Please do this even if you have told me in person or by email that you will attend. (Sorry I am disorganized.) Here is a rough agenda. Thursday 8:30: coffee+pastries arrive 9:15: introduction 9:30-12: talks by Seth Lloyd, Patrick Rebentrost, Iman Marvian 12-1: lunch 1-5: talks by me, Seth, Ike (well, probably me presenting his slides), Eddie, Eric, John Napp, Rolando, maybe more. (with a coffee break around 3) Friday 9-5 at IBM Yorktown Speakers will include me, Saeed, Anand, Eric (+ probably more) on the MIT side, David, Sergey, Kristan (+ maybe more) on the IBM side. thanks, aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

6 years, 2 months

[Aspuru-Guzik Group List] Theochem Visit - Berkelbach

by Teresa Tamayo

Hi everyone, Professor Berkelbach from the University of Chicago will be visiting Harvard next Thursday (March first) for THEOCHEM. His young research group focuses on spectroscopy and electronic-structure methods such as coupled-cluster, diagrammatic methods, with applications to materials ( http://berkelbachgroup.uchicago.edu/). If you want to meet Prof. Berkelbach and have lunch or dinner with him, please let me know. His talk is next Wednesday at MIT, 4:15 pm at MIT building four room 163, you can find the abstract is below. Best, Tere ------- Quantum chemistry in nanoscale and solid-state materials Density-functional theory and its descendants are the workhorse methods of computational materials science, despite a number of now well-known shortcomings. In a different direction, I will provide a broad overview of systematically-improvable wavefunction-based methods for condensed-phase electronic structure calculations. I will review the challenges of electronic structure in bulk materials, touching on aspects of many-body theory, diagrammatic techniques, and open-source software. With motivating examples drawn from recent work on low-dimensional semiconductors, I will describe our ongoing research agenda aimed at using deterministic methods (especially coupled-cluster theory) and stochastic methods (quantum Monte Carlo) for the accurate description of condensed-phase electronic structure, excited-state properties, and spectroscopic observables.

6 years, 2 months

[Aspuru-Guzik Group List] No group meeting tomorrow

by Ian Kivlichan

Hi all, There will be no group meeting tomorrow. We'll pick back up next week. Best, Ian

6 years, 2 months

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aspuru-list February 2018