aspuru-list August 2018

aspuru-list@lists.fas.harvard.edu

8 participants
19 discussions

[Aspuru-Guzik Group List] [Response requested] Possible group meeting time change

by Ian Kivlichan

Hi all, We're looking at moving the group meeting slot earlier on Thursdays this semester, due to a conflict with one of the colloquia schedules. The new time slot would be *Thursdays 2-3 PM*. Please let me know ASAP if you might have a conflict with this time. All the best, Ian

5 years, 7 months

[Aspuru-Guzik Group List] Bracelets for Tomorrow's BBQ In My Office

by Siria Serrano

Feel free to swing by and pick yours up! -- *Siria Serrano* *Laboratory Administrator* *Aspuru-Guzik Group* *Harvard University **Department of Chemistry and Chemical Biology* *12 Oxford St. M 136* *Cambridge, MA 02138* *P:** (617) 496-1716 <%28617%29%20496-1716>** F: **617-496-9411 <617-496-9411>*

5 years, 7 months

[Aspuru-Guzik Group List] Fwd: Invitation to submit to Entropy Special Issue: "Quantum Information: Fragility and the Challenges of Fault Tolerance"

by Alan Aspuru-Guzik

Let me know if anybody wants to submit? Qvector revision ? ---------- Forwarded message --------- From: Giulia Ferrini <ferrini(a)chalmers.se> Date: Thu, Aug 30, 2018 at 8:39 AM Subject: Invitation to submit to Entropy Special Issue: "Quantum Information: Fragility and the Challenges of Fault Tolerance" To: alan(a)aspuru.com <alan(a)aspuru.com> CC: Göran Wendin <goran.wendin(a)chalmers.se>, samantha.luo(a)mdpi.com < samantha.luo(a)mdpi.com> Dear Prof. Aspuru-Guzik, on the behalf of the Entropy editorial board, we write you to kindly invite you to submit a paper (possibly involving collaborators of yours) for the Entropy Special Issue: « Quantum Information: Fragility and the Challenges of Fault Tolerance ». The purpose of the Special Issue is to investigate the challenges related to preserving and exploiting quantum information, in connection to the current development of noisy quantum processors in the range of 50-100 qubits. The deadline for the submission is 31st March 2019. Please, let us know by September 30th if you accept to submit a contribution. You will find submission instructions and more informations at the link: http://www.mdpi.com/journal/entropy/special_issues/fragility We await for your kind response, with our best regards, The Guest Editors: *Prof. Dr. Göran Wendin* Department of Microtechnology and Nanoscience-MC2, Chalmers University of Technology, S-412 96 Göteborg, Sweden *Dr. Giulia Ferrini* Department of Microtechnology and Nanoscience-MC2, Chalmers University of Technology, S-412 96 Göteborg, Sweden ——————————————————————————————————————— /Entropy/ is an open access journal which maintains a rigorous and fast peer-review system and accepted papers are immediately published online. Because it is an online and open-access journal, papers published in Entropy will receive high publicity. It is fully covered by the leading indexing and abstracting services, including Google Scholar, MathSciNet, Scopus and Science Citation Index Expanded (Web of Science). The official Impact Factor for Entropy is 2.305 (2017). The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). --------------------------------------------------------------------------- Giulia Ferrini Department of Microtechnology and Nanoscience - MC2 Chalmers University of Technology S-412 96 Göteborg Sweden -- Alán Aspuru-Guzik Professor of Chemistry and Computer Science | Vector Institute Canada 150 Research Chair in Quantum Chemistry | CIFAR Senior Fellow University of Toronto | 80 St George St | Toronto, ON M5S 3H6, Canada http://matter.toronto.edu Twitter @A_Aspuru_Guzik aspuru(a)utoronto.ca

5 years, 7 months

[Aspuru-Guzik Group List] [Toronto] CPTG Mixer to Welcome the Group on Friday, September 7th 330-5 PM!

by Siria Serrano

Everyone, Please mark your calendars for a mixer next* Friday, September 7th, 330-5 PM at the CPTG Lounge* located on the 4th floor of the Lash Miller Chemistry Building, Room 429 in the Theory Wing, 80 St. George Street, Toronto M5S 3H6. We encourage all group members in Toronto that day to attend and meet your new neighbors, Alan and several other PIs and their groups will be in attendance and some refreshments will be served! Best, Siria -- *Siria Serrano* *Laboratory Administrator* *Aspuru-Guzik Group* *Harvard University **Department of Chemistry and Chemical Biology* *12 Oxford St. M 136* *Cambridge, MA 02138* *P:** (617) 496-1716 <%28617%29%20496-1716>** F: **617-496-9411 <617-496-9411>*

5 years, 7 months

[Aspuru-Guzik Group List] [qip] talk on Friday: The Quantum Boltzmann Machine

by Aram Harrow

Friday, Aug 31, 1:30pm, 6C-442 The Quantum Boltzmann Machine Bert Kappen, Donders Institute, Radboud University Nijmegen, Gatsby Computational Neuroscience Unit UCL London We propose to generalise classical maximum likelihood learning to density matrices. As the objective function, we propose a quantum likelihood that is related to the cross entropy between density matrices. We apply this learning criterion to the quantum Boltzmann machine (QBM), previously proposed by Amin et al.. We demonstrate for the first time learning a quantum Hamiltonian from quantum statistics using this approach. For the anti-ferromagnetic Heisenberg and XYZ model we recover the true ground state wave function and Hamiltonian. The second contribution is to apply quantum learning to learn from classical data. Quantum learning uses in addition to the classical statistics also quantum statistics for learning. These statistics may violate the Bell inequality, as in the quantum case. Maximizing the quantum likelihood yields results that are significantly more accurate than the classical maximum likelihood approach in several cases. We give an example how the QBM can learn a strongly non-linear problem such as the parity problem. The solution shows entanglement, quantified by the entanglement entropy. https://arxiv.org/abs/1803.11278 Bio: http://www.snn.ru.nl/~bertk/biograph2 _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

5 years, 7 months

[Aspuru-Guzik Group List] Fwd: Hiring a postdoc in the Shirts Research Group at CU Boulder

by Alan Aspuru-Guzik

Alan ---------- Forwarded message ---------- From: Michael R Shirts <Michael.Shirts(a)colorado.edu> Date: Aug 23, 2018, 6:06 PM -0400 To: Michael R Shirts <Michael.Shirts(a)colorado.edu> Subject: Hiring a postdoc in the Shirts Research Group at CU Boulder > Hello, colleagues- > > I am still in the process of hiring a postdoctoral researcher to do fundamental theoretical and computational work towards understanding and designing secondary structure in general non-peptidic oligomers. I think this is an exciting project (it's probably the new direction I'm most interested in in my group!) with lots of potential directions that someone could take in independent research projects afterwards. I am open to people who might be graduating/finishing later this the fall; there may be some additional candidates who were not ready this summer when I first announced the search who might be interested now. I would love if you could pass this on to any students/former students/junior researchers you think might be good candidates. > > The job description and direct link to apply is below. I'm happy to answer any questions that anyone you may refer might have. Note: the CU application requires a letter of recommendation, but that does not need to be uploaded initially; that can be uploaded as a confidential letter of recommendation later in the process by me. > > The job number is #13828 at https://cu.taleo.net/careersection/2/moresearch.ftl. Direct Link is: https://cu.taleo.net/careersection/2/jobdetail.ftl?job=13828&lang=en&sns_id… > > Job Description: The Shirts research group in the Department of Chemical and Biological Engineering at University of Colorado Boulder is hiring a research associate to help develop guidelines, based on fundamental physical principles, by which short nonbiological heteropolymers with sequence specificity can fold into secondary structure elements. The candidate will also study what governs the relative stability between these allowed secondary structural elements. Initial studies will pave the way for more extensive and realistic modeling of the proposed heteropolymers, working with our experimental collaborators. The research effort is intended to build towards tools for designing human-engineered foldameric materials with a much larger range of properties and functions than occur in naturally occurring biological heteropolymers such as proteins. This position requires a Ph.D. in chemistry, chemical engineering, physics or a related field, and exceptionally strong skills in statist ical mechanics and molecular simulation. Other potential (but not required) qualifications of interest include Python expertise and experience with protein design algorithms. Competitive candidates will have a track record of scientific success in graduate study, creative and innovative thinking, experience working on teams, excellent writing skills, and a strong publication record. > > Best, > ~~~~~~~~~~~~~~~~ > Michael Shirts > Associate Professor > michael.shirts(a)colorado.edu > http://www.colorado.edu/lab/shirtsgroup/ > Phone: (303) 735-7860 > Office: JSCBB C123 > Department of Chemical and Biological Engineering > University of Colorado Boulder > > >

5 years, 8 months

[Aspuru-Guzik Group List] [qip] Boaz Barak graduate seminar on physics and computation

by Aram Harrow

Dear quanta, See below for a message from Boaz Barak about a class many of you might find interesting. ---------------------------- Hi all, I will be teaching (or more accurately, learning) in the Fall on Fridays 1:15-4:30 a graduate seminar on physics and computation, see https://www.boazbarak.org/fall18seminar/ This will replace the Friday theory reading group in the fall. Some topics we could look into include (in no particular order): - connections between statistical physics and algorithms. - black holes, bulk/boundary correspondence, and computational complexity. - quantum information theory: quantum-inspired classical results, as well as classical algorithms for quantum problems. - quantum hamiltonian complexity: "quantum PCP theorem", quantum analogs of constraint satisfaction problems - complexity evidence for "quantum superiority" - the "conformal bootstrap" - exploring the space of possible physical theories using semidefinite programming. though am happy to get other suggestions as well. The goal is to find among these topics the results to present that give the maximum amount of insights and connections to computer science with the minimum amount of physics background (which we will not assume). I hope many of you will participate so we can learn together about some of these fascinating topics. In particular, I hope that many Harvard and MIT grad students take this seminar as a course for credit. (If enough MIT students do so, and an appropriate room is available, we might rotate it weekly between Harvard and MIT as we do in the reading group.) For planning purposes, if you are thinking of taking this seminar for credit, or even regularly attending it, I would appreciate it if you join the Piazza forum at https://piazza.com/harvard/fall2018/cs229r Best, Boaz _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

5 years, 8 months

[Aspuru-Guzik Group List] No group meeting tomorrow

by Ian Kivlichan

Hi all, Just a heads up that there will be no group meeting tomorrow due to ACS. We'll pick back up September 6th after Labour Day. All the best, Ian

5 years, 8 months

[Aspuru-Guzik Group List] Fwd: Postdoc availability...

by Alan Aspuru-Guzik

---------- Forwarded message --------- From: Wibe de Jong <wadejong(a)lbl.gov> Date: Thu, Aug 16, 2018 at 4:20 PM Subject: Postdoc availability... To: Birgitta Whaley <whaley(a)berkeley.edu>, Alan Aspuru-Guzik < alan(a)aspuru.com> There is a general call for the named "2019 Luis W. Alvarez Postdoctoral Fellowship in Computing Sciences" ( https://lbl.referrals.selectminds.com/jobs/2019-luis-w-alvarez-postdoctoral…) that Jarrod McClean won a couple of years ago. If you have an outstanding grad student close to finishing, they should definitely consider applying. Note, I also have another postdoc position in quantum computing and one in machine learning open. Bert -- Alán Aspuru-Guzik Professor of Chemistry and Computer Science | Vector Institute Canada 150 Research Chair in Quantum Chemistry | CIFAR Senior Fellow University of Toronto | 80 St George St | Toronto, ON M5S 3H6, Canada http://matter.toronto.edu Twitter @A_Aspuru_Guzik aspuru(a)utoronto.ca

5 years, 8 months

[Aspuru-Guzik Group List] Group meeting, Thu Aug 16, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Danny will speak at group meeting - see below for his title and abstract. Part of it will be practice for a talk at ACS next week. Otherwise, we're a little short on group meeting speakers - if you have a talk you'd like to give, or have someone visiting (whether Toronto- or Boston-side), please let me know :) All the best, Ian ----------------- Title: Status and Challenges of Organic Aqueous Redox Flow Battery Development Abstract: I will cover the challenges and developments of our group's collaboration with Mike Aziz and Roy Gordon on organic redox flow batteries. First I will tell the story about the initial promise of 2-5-dihydroxy benzoquinone (DHBQ). Then, there will be a riveting tale about how (slightly-altered) proposed substitutions on DHBQ initially meant to suppress semi-quinone formation were transferred over to anthraquinones to create 4,4′-((9,10-anthraquinone-2,6-diyl)dioxy)dibutyrate (known as 2-6 DBEAQ), which the group has branded "Methuselah." The twist is that primary the reason it is the most stable organic alkaline flow battery molecule is not what we initially thought and this is leading to an interesting follow-up study. I will then discuss our group's recent efforts to take a second look at phenazines and fused phenazines, motivated by a recent study published by PNNL. Finally, I will discuss a machine learning approach to explore restricted regions of chemical space to discover new flow battery electrolytes, which is the subject for my ACS talk next week.

5 years, 8 months

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aspuru-list August 2018