aspuru-list May 2016

aspuru-list@lists.fas.harvard.edu

26 participants
50 discussions

[Aspuru-Guzik Group List] Marlon's P-Card

by Marlon Cummings

The person who used my P-Card last Friday - $8.35, please bring me the receipt. Do not use it at Harvard coffee shops. Thanks, Marlon. -------------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>*

7 years, 11 months

[Aspuru-Guzik Group List] Papero on efficient simulations of non-markovian and strong coupling dynamics

by Gelbwaser, David

Hi guys I am attaching a nice paper, that specially people from excitonics may find it interesting. Basically, it shows for non-Markovian (and sometimes strongly) dynamics, how to effectively treated as effective Markovian dynamics. Which can save a lot of computational time for simulations. I am also cc the first author, who I just meet. He is a very nice guy and I guess he will be happy to answer any question. Best David Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10

7 years, 11 months

[Aspuru-Guzik Group List] [qip] Fwd: TQC 2016 — submission deadline is one week away

by Aram Harrow

See below for an announcement about TQC, for which now proceedings are officially optional. The quality of this conference has been steadily increasing and if you will be in Europe around that time anyway, I would suggest sending papers there. Dear colleague, This is a friendly reminder that the submission deadline for the TQC conference is next Monday, May 16, 2016. Please consider the call for papers below and circulate among your colleagues and students. Best wishes, Anne Broadbent (program committee chair) Jens Eisert (local organizing committee chair) ======================================================================= CALL FOR PAPERS The 11th Conference on the Theory of Quantum Computation, Communication, and Cryptography ---- TQC 2016 ---- Freie Universität Berlin Berlin, Germany 27-29 September 2016 http://tqc2016.physik.fu-berlin.de/ ======================================================================= This is the eleventh in a series of conferences that aims to bring together the leading researchers in the areas of quantum computation, quantum communication and quantum cryptography. TQC covers all theoretical aspects of quantum information and submissions on these topics are solicited. Areas of interest include, but are not restricted to: * quantum algorithms * models of quantum computation * quantum complexity theory * simulation of quantum systems * quantum cryptography * quantum communication * quantum estimation and measurement * intersection of quantum information and condensed-matter theory * quantum coding theory * fault-tolerant quantum computing * entanglement theory Important dates: * Paper/Talk/Early-Poster submission deadline: May 16, 2016 * Decision notification: July 5, 2016 * Final manuscript deadline: July 23, 2016 * Late-Poster submission deadline: August 17, 2016 * Conference: 27-29 September, 2016 Two tracks: Conference(talk + proceedings) and Workshop(talk only). As the goal of TQC is to bring together researchers on all aspects of quantum information, submissions are solicited for two tracks: * Conference(talk + proceedings): Submissions to this track must be original papers that have not previously appeared in published form. Accepted papers will be presented orally at the conference and will appear in the conference proceedings. The proceedings will be published by the OpenAccess LIPIcs (Leibniz International Proceedings in Informatics). * Workshop(talk only): We solicit submissions for talk-only papers; accepted submissions will be presented orally at the conference but will not appear in the proceedings. This track allows authors to publish their work elsewhere and accepts already published material. Invited speakers: * Andris Ambainis (U Latvia) * Ronald Hanson (TU Delft) * Lidia del Rio (U Bristol) * Andreas Winter (UA Barcelona) Programme committee: * Gorjan Alagic * Gilles Brassard * Anne Broadbent (chair) * André Chailloux * Giulio Chiribella * Frédéric Dupuis * Joseph Fitzsimons * Steve Flammia * Sevag Gharibian * Stacey Jeffery * Elham Kashefi * Iordanis Kerenidis * Xiongfeng Ma * Laura Mancinska * Carl Miller * Mio Murao * Marco Piani * Christopher Portmann * Robert Raussendorf * Christian Schaffner * Norbert Schuch * Peter Selinger * Jamie Sikora * Barbara Terhal * Mark Wilde Local organising committee (FU Berlin): * Jens Eisert - chair * Oliver Buerschaper - co-chair * Juan Bermejo-Vega * Dominik Hangleiter * Albert Werner * Carolin Wille * and the entire QMIO group at the FU Berlin Steering committee: * Wim van Dam (UCSB) * Aram Harrow (MIT) * Yasuhito Kawano (NTT, Tokyo) * Michele Mosca (IQC, Waterloo and Perimeter Institute) * Martin Roetteler (Microsoft Research) * Simone Severini (UCL) * Vlatko Vedral (Oxford and CQT, Singapore) For further information, please see http://tqc2016.physik.fu-berlin.de/ _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

7 years, 11 months

[Aspuru-Guzik Group List] ML-subgroup meeting today (2pm)

by Benjamin Sanchez Lengeling

Hi All, Nico is giving a small chalk talk today on " Fast ML for intuitive descriptors", for today's sub-ML group meeting at 2pm in Acapulcoplex/New-siberia meeting room. More info: I'll present a quick and dirty ML algorithm (PRL 114, 105503) that can (sometimes) yield physically interpretable descriptors for composition-property relationships in inorganic materials. Then I'll discuss ideas for unconventional descriptors, with the hope of getting feedback from the group. The session will be casual and could last anywhere between 20 and 45 minutes. #feelthebern. Hope to see you there Ben

7 years, 12 months

[Aspuru-Guzik Group List] [qip] 6.453 Quantum Optical Communication in Fall 2016

by Jeffrey H Shapiro

Hi, FYI: I will be offering 6.453, Quantum Optical Communication, in Fall 2016 but not in Fall 2017. Jeff Shapiro ----------------------------------------------------------------------------------------------------------------------------------------------- 6.453 Quantum Optical Communication Prereq: 6.011, 18.06 Acad Year 2016-2017: G (Fall) 3-0-9 Quantum optics: Dirac notation quantum mechanics; harmonic oscillator quantization; number states, coherent states, and squeezed states; radiation field quantization and quantum field propagation; P-representation and classical fields. Linear loss and linear amplification: commutator preservation and the Uncertainty Principle; beam splitters; phase-insensitive and phase-sensitive amplifiers. Quantum photodetection: direct detection, heterodyne detection, and homodyne detection. Second-order nonlinear optics: phasematched interactions; optical parametric amplifiers; generation of squeezed states, photon-twin beams, non-classical fourth-order interference, and polarization entanglement. Quantum systems theory: optimum binary detection; quantum precision measurements; quantum cryptography; and quantum teleportation. J. H. Shapiro ----------------------------------------------------------------------------------------------------------------------------------------------- ************************************************ Jeffrey H. Shapiro Julius A. Stratton Professor of Electrical Engineering Massachusetts Institute of Technology Room 36-517 Cambridge, MA 02139-4307 Phone: 617-253-4179 Fax: 617-324-3633 email: jhs(a)mit.edu<mailto:jhs@mit.edu> ************************************************ _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

7 years, 12 months

[Aspuru-Guzik Group List] Special group meeting on Friday, May 6th: Postdoc candidate Romit Chakraborty

by Salvatore Mandrà

Hi Everyone, This Friday (May 6th), the Postdoc candidate Romit Chakraborty from the University of Chicago, (Department of Chemistry and The James Franck Institute) will give a job interview to our group. The talk will be in the Division Room from 2.30pm to 3.30pm. The abstract of the talk is in attachment. Cheers, Salvatore

7 years, 12 months

[Aspuru-Guzik Group List] [qip] Friday

by Edward Farhi

Hi Quanta We are meeting on Friday the 6th at 11:00. We have Shalev scheduled to speak to us. The following week we will hear from Lijie Chen. See you then! 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

7 years, 12 months

[Aspuru-Guzik Group List] Group Meeting, May 5, 2:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow we have a visitor, Joshua Schrier from Haverford, speaking at group meeting. His title and abstract (with a picture!) are below. Best, Ian ------------------------------------- Title: Hunting for Better Aqueous Organic Redox Flow Battery Materials Speaker: Joshua Schrier Abstract: Redox flow batteries (RFB) using water-soluble organic redox couples are a new strategy for low-cost, eco-friendly, and durable stationary electrical energy storage. To be useful, these molecules must have extreme (either high or low) oxidation/reduction potentials and high aqueous solubility. Like many molecular design problems, the search space of possible functional derivatives is too large to be completely explored with ab initio calculation, but cheminformatics methods can make the search tractable. In this talk, I'll describe our exploration of 10^5 possible thiophenoquinone derivatives. By using existing cheminformatics tools from the drug-discovery community to eliminate insufficiently soluble compounds from our pipeline,we reduced the space to a more tractable 10^3 compounds. Using exhaustive B3LYP/6-311+G(d,p) thermochemical calculations with SMD solvation model—which reproduce experimental reduction potentials to within ±0.04 V—we computed redox voltages and free energies of solvation for all of these compounds, resulting in 51 new candidates with the high solubility and wide voltage range needed for high performance aqueous RFB applications. This ab initio data-set provided us with the opportunity to develop and test cheminformatics and lead-screening strategies for finding high-performing battery materials. A group-additivity model predicts the redox potential to within ±0.09 V, and can be trained with as few as 200 examples. Surprisingly, the 'quantum-free' group-additivity model was more accurate than models that used the ab initio LUMO energy or information from semiempirical Hückel calculations as descriptors. Using these models to perform simulated screening experiments, we found that 'active' (high voltage or low voltage species) candidates could be identified with an enrichment factor of 2-6, depending on the model and framework type. Having validated this drug-discovery inspired approach with an exhaustive dataset (where we know the 'right' answer), we are now applying this to the much larger space of derivatives. I'll also give a brief progress report on joint work with Prof. Jason Schmink (Bryn Mawr College) on new types of high-performance thiophenoquinone derivatives, and some other bio-inspired materials for organic aqueous redox flow batteries. [image: image.png]

7 years, 12 months

[Aspuru-Guzik Group List] special ITAMP lunch seminar this Friday - Sergej Moroz, University of Colorado / JILA

by Richard Schmidt

Dear colleagues, this Friday, May 6, we have a special ITAMP lunch seminar at 12PM by Sergej Moroz (University of Colorado, Boulder). Note the unusual location [Philipps Auditorium] Kind regards, Richard Schmidt ITAMP Topical Lunch Discussion Date: Friday, May 6th Time: 12:00-1:30 pm Pizza will be served. Location: Philipps Auditorium @ Center for Astrophysics (60 Garden Street) Directions: enter from the parking lot on the back of the Center for Astrophysics Speaker: Sergej Moroz (University of Colorado, Boulder) Title: Few-body universality in low dimensions Abstract: Last decade saw a wave of interest in universal few-body Efimov effect which was fueled by its experimental verification in cold atom experiments. Although originally predicted to occur only in three dimensional systems with short-range s-wave resonant interactions, the Efimov physics is more general. In this talk I will summarize my recent studies of the three-body universality in one and two spatial dimensions. First, I will describe how the Efimov effect emerges in a one-dimensional mass-imbalanced three-body problem of particles interacting via a two-body attractive inverse square potential (mass imbalanced Calogero problem). The effect might be realized experimentally with dipoles (polar molecules) and charges (ions or electrons) confined to one dimension. Second, I will introduce the super Efimov effect- a new type of three-body quantum universality of two-dimensional particles resonantly interacting in the p-wave channel that manifests itself in a tower of three-body bound states with a double-exponential scaling. --------------------------- Dr. Richard Schmidt Institute for Theoretical Atomic, Molecular, and Optical Physics (ITAMP) Harvard-Smithsonian Center for Astrophysics MS-14 60 Garden St. Cambridge, MA 02138 U.S.A. richard.schmidt(a)cfa.harvard.edu Tel. +1 (617) 496-7610 Fax +1 (617) 496-7668

7 years, 12 months

[Aspuru-Guzik Group List] TODAY - ITAMP/HQOC Joint Quantum Sciences Seminar: Tilman Pfau

by Ploucha, Clare Dolores

HQOC/ITAMP Joint Quantum Sciences Seminar Wednesday, May 4, 2016 4:00 PM, Jefferson 250 Prof. Tilman Pfau, Universität Stuttgart, Germany "Strongly Interacting Rydberg Gases in Thermal Vapor Cells" Rydberg atoms are of great interest due to their prospects in quantum information processing[1]. Coherent control of the strong Rydberg-Rydberg interaction allows for the realization of quantum operations and devices such as quantum gates and single-photon sources. To date, impressive experimental progress has been limited to the ultracold domain [2]. Being able to exploit this interaction in a coherent manner in thermal vapor would eliminate the need for cooling and trapping of atoms and thus offer new prospects for integration and scalability. We present our progress on the coherent control and investigation of Rydberg atoms in small vapor cells. We show that we are able to drive Rabi oscillations on the nanosecond timescale to a Rydberg state by using a pulsed laser excitation and are therefore faster than the coherence time limitation given by the Doppler width [3]. A systematic investigation reveals a clear signature for a strong van der Waals interaction between Rydberg atoms. The strength of the interaction exceeds the energy scale of thermal motion (i.e. the Doppler broadening) and therefore enables many body quantum physics above room temperature [4]. As an example we observe evidence for aggregate formation of Rydberg atoms in a vapor cell [5]. Besides these many body physics phenomena also electric field sensing applications have been demonstrated [6] and recently it was shown that coherent Rydberg excitation is also possible in photonic crystal fibers [7]. Several applications from THz sensing to single photon sources seem within reach. [1] J. M. Raimond, M. Brune, S. Haroche, Rev. Mod. Phys. 73, 565 (2001), [2] M. Saffman et al., RMP 82, 2313 (2010) and references therein, [3] B. Huber et al., PRL 107, 243001 (2011), [4] T. Baluktsian et al., PRL 110, 123001 (2013), 5] A. Urvoy et al., PRL 114, 203002 (2015), [6] J. Sedlacek, et al. Nature Physics 8, 819 (2012), [7] G. Epple, et al, Nature Communications 5, 4132 (2014) Dr. Stefan Pabst "Attosecond pulse characterization with Rydberg wave packets" For attosecond dynamics, it is crucial to know the exact properties of isolated and trains of attosecond pulses. A full pulse characterization is, therefore, of high interest. Here, we propose a new method of fully characterizing these pulses by photoionizing an electronically excited Rydberg wavepackets. The different energy levels of the Rydberg states make it possible to interfere different spectral components with each other. The dipole phases, which normally enter in the ionization step, are eliminated here so that the spectral phase can be uniquely determined. This method is very versatile and offers several advantages over common pulse characterization methods. Student Presentation from 4:00-4:10 PM Refreshments Served from 4:00-4:30 PM Guest Presentation from 4:30-6:00 PM -- Clare Ploucha Faculty Assistant to Professors Lukin & Greiner and their labs Department of Physics 17 Oxford St., Lyman 324A Cambridge, MA 02138 P. (617) 496-2544

7 years, 12 months

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aspuru-list May 2016