aspuru-list October 2013

aspuru-list@lists.fas.harvard.edu

34 participants
87 discussions

[Aspuru-Guzik group list] Ivan Deutsch seminar on Monday Oct 21 at 2 pm in Pfizer. Lunch at Noon.

by Felipe Herrera

Dear Group, This Monday 21, Prof. Ivan Deutsch from the University of New Mexico will give a seminar at 2 pm in Pfizer. Below are the title and abstract of the talk. We will have a catered lunch with Prof. Deutsch at noon on Monday and there is room for six students or postdocs to join us. These slots include Heller and Shaknovich's groups members, so please reply to this email as soon as you can to secure a spot. Best, Felipe Title: “Quantum Control and Measurement of Spins in Ultracold Atomic Gases" Abstract: Spins are natural carriers of quantum information given their long coherence times and the decades-long development of quantum control tools for spins on platforms ranging from liquid-state NMR, to gaseous atomic clocks, to solid-state spintronics. In this talk I will present recent developments in extending these tools to control and measurement of atomic spin in ultracold atomic gases. New paradigms include quantum control of internal hyperfine spin in high dimensional Hilbert spaces, tomography via continuous measurement polarization spectroscopy, and collective spin squeezing mediated by the atom-photon entangling interactions. The integration of internal and collective spin control opens the door to new possibilities for enhancing the atom-light interface with applications including metrology, quantum communication networks, and quantum computation.

10 years, 6 months

[Aspuru-Guzik group list] [Aspuru-meetings-list] group meeting tomorrow: Dr. Dmitrij Rappoport

by Ryan Babbush

Hi Everyone, Tomorrow (Thursday) Dr. Dmitrij Rappoport will be filling us in about some of his current research. We'll be meeting at 2:30 in the Division Room and an abstract for the talk is provided below. Analyzing the Formose Reaction Network Dmitrij Rappoport, Cooper J Galvin, Dmitry Zubarev, and Alan Aspuru-Guzik Complex reaction networks consisting of many competing reactions are common in organic chemistry and are at the core of cell metabolism and prebiotic chemistry. I will discuss our recent approach combining chemical heuristics with quantum chemical calculations and its applications to the reaction network of the formose reaction. We build the reaction network model from the bottom up from its constituent reactions and thus connect the local patterns of chemical reactivity with global network structure. Within the reaction network of the formose reaction, the combined approach reproduces major experimentally known products and postulated reaction pathways. Furthermore, it allows us to study the global properties of formose reaction network and shows several properties, which have not been previously observed in abiotic reaction networks: (i) The states of the formose reaction network form an approximately Gaussian energy density of states; (ii) The formose reaction network exhibits features of small-world networks; and (iii) shows intrinsic hierarchical organization. -- Ryan Babbush | PhD Student in Physics (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Group 12 Oxford Street | Cambridge, MA 02138 _______________________________________________ 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, 6 months

[Aspuru-Guzik group list] Special group seminar 2-3pm today (Oct. 16)

by Suh, Changwon

SPECIAL SEMINAR REMINDER: Please join us for our Special Seminar on Wednesday, October 16, 2013 from 2:00-3:00 pm in the Division room. Title: "High-throughput First Principles In Silico Screening to Predict Optimum Band Gap for Light Capture in Solar Fuel Generation and the Porous Framework Genome Project" Speaker: José Mendoza-Cortés For further information, please contact Changwon Abstract: In the first part of the talk we will discuss our approach to finding semiconductors which have an ideal band gap (Eg) in the visible region with maximum e ciency, i.e. Eg around 1.1 eV for H2 generation and Eg of 1.7 to 2.1 eV for O2 generation in a tandem cell. Our project is of high interest for the goals of the Joint Center for Artificial Photosynthesis. More than 1,000 compounds which can have semiconductor properties were automatically screened. The structures were obtained from the Inorganic Structural database (ICSD). We propose a way to determine the properties of the predicted semiconductors which allows us to extrapolate existing data and their correlation.These results pave the way to predict new stable Earth-abundant light absorbers with the precise band gap requirements for water splitting. In the second part of the talk we will discuss Porous Framework Genome Project. Porous frameworks (Metal-Organic and Covalent Organic Frameworks) were constructed by combining secondary building units (SBU), which contain multiple connectors each, with linkers that contain exactly two connectors each. Depending on the amount and orientations of the connectors of each SBU, multiple frameworks can be generated when connecting them together via linkers. An algorithm was created which generates frameworks using every combination of available nets, SBUs, and linkers. Once the frameworks have been created, their energies are minimized to predict the exact atomic structure, and then various computational gas storage simulations are run to predict the framework properties. An online database with 20,000 compounds has been created, which contains the structural data and H2 storage capacity for all these frameworks.

10 years, 6 months

[Aspuru-Guzik group list] Excitonics Seminar - Jeremy Baumberg- Oct 17, 3-4 PM, 36-428

by Catherine M Bourgeois

Please post and forward to your group. Thanks. _________________________________ Center for Excitonics Seminar Series Thursday, Oct 17, 2013 3:00 - 4:00 PM RLE HAUS and ALLEN rooms: 36-428 Microcavity Polaritonics: Optically-Steering Interacting Quantum Liquids on a Chip Jeremy Baumberg, Department of Physics, NanoPhotonics Centre, University of Cambridge, UK Abstract: Constructing ultra-high finesse semiconductor microcavities produces quasiparticles called exciton polaritons which can Bose condense even up to room temperature. The resulting macroscopic quantum states are directly visible and allow superflows to be imaged. Spontaneous oscillations, self-organised vortex lattices, and geometrical phase transitions are all part of the rich phenomena observed. Recent references: [1] Nature Physics 8, 190 (2012); G. Tosi et al., "Sculpting oscillators with light within a nonlinear quantum fluid" [2] Nature Communications 3, 1243 (2012); G. Tosi et. al., "Geometrically locked vortex lattices in semiconductor quantum fluids" [3] Science 336, 704 (2012); P. Cristofolini et al., "Coupling Quantum Tunneling with Cavity Photons" [4] Phys.Rev.Lett. (2013); P. Cristofolini et al., "Optical superfluid phase transitions and trapping of polariton condensates Prof. Jeremy J. Baumberg FRS, directs a UK Nano-Photonics Centre at the University of Cambridge and has extensive experience in developing optical materials structured on the nano-scale that can be assembled in large volume. He is also Director of the Cambridge Nano Doctoral Training Centre, a key UK site for training PhD students in interdisciplinary Nano research. Strong experience with Hitachi, IBM, his own spin-offs Mesophotonics and Base4, as well as strong industrial engagement give him a unique position to combine academic insight with industry application in a two-way flow. With over 10000 citations, he is a leading innovator in Nano. This has led to awards of the IoP Young Medal (2013), Royal Society Mullard Prize (2005), the IoP Charles Vernon Boys Medal (2000) and the IoP Mott Lectureship (2005). He frequently talks on NanoScience to the media, and is a strategic advisor on NanoTechnology to the UK Research Councils. He is a Fellow of the Royal Society, the Optical Society of America, the Institute of Physics, and the Institute of NanoTechnology. [see np.phy.cam.ac.uk] 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

10 years, 6 months

[Aspuru-Guzik group list] [qip] Troyer talk

by Edward Farhi

Hi Quanta Matthias Troyer is giving the physics colloquium on Thursday at 4:00 in 10-250. Eddie Matthias Troyer (ETH Zurich) Validating quantum devices About a century after the development of quantum mechanics we have now reached an exciting time where non-trivial devices that make use of quantum effects can be built. While a universal quantum computer of non-trivial size is still out of reach there are a number commercial and experimental devices: quantum random number generators, quantum encryption systems, and analog quantum simulators. In this colloquium I will present some of these devices and validation tests we performed on them. Quantum random number generators use the inherent randomness in quantum measurements to produce true random numbers, unlike classical pseudorandom number generators which are inherently deterministic. Optical lattice emulators use ultracold atomic gases in optical lattices to mimic typical models of condensed matter physics. Finally, I will discuss the devices built by Canadian company D-Wave systems, which are special purpose quantum simulators for solving hard classical optimization probl! ems. ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics 6-300 Massachusetts Institute of Technology Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years, 6 months

[Aspuru-Guzik group list] ITAMP topical lunch discussion: Thursday October 17 @ 12:00

by Mikhail Lemeshko

Dear Friends, On Thursday, October 17, there will be an ITAMP topical lunch discussion. Tea Room (P-226) @ CfA (60 Garden Street) Time: 12:00-1:30 As always pizza will be served. Speaker: Ariel Amir Title: Structural colors in nature Abstract: Many insects, birds, fish and plants utilize clever structures tailored on the sub-micron scale rather than pigments to manipulate light. These give rise to remarkable optical properties due to interference effects. One typical strategy is the use of multilayers of dielectric materials, to yield high reflectance and iridescence. In other cases a "chirped" structure gives a metallic look, and additional chiral organization may lead to strong circular polarization. All of these have significant biomimetic potential. In this talk I will review some of these striking examples, and give a pedagogical analysis of the one-dimensional periodic and chirped structures which are used by certain beetles. Looking forward to seeing you there, Misha Lemeshko -- Dr. Mikhail Lemeshko 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. mlemeshko(a)cfa.harvard.edu http://sites.google.com/site/mishalemeshko/ Tel. +1 (617) 496-7610 Fax +1 (617) 496-7668

10 years, 6 months

[Aspuru-Guzik group list] FW: Announcing Biophotonics Seminar by Frank Vollmer: Wednesday, October 16, at 3:00pm

by Catherine M Bourgeois

******************************************************************************************************* Biophotonics Seminar Wednesday, October 16 @ 3pm in Room 4-331 (Duboc Seminar Room) Taking Detection to the Limit: Biosensing with Optical Microcavities Frank Vollmer Laboratory of Nanophotonics and Biosensing Max Planck Institute for the Science of Light Optical microcavity biosensors are emerging as one of the most sensitive microsystem biodetection technology that does not require amplification or labeling of the analyte. I will give an overview of the exciting possibilities provided by this highly sensitive technique for molecular diagnostics, nanoparticle detection and manipulation. I will then talk about the prospects of boosting sensitivity with plasmonic nanoantennas - bringing label-free single molecule detection and the study of molecular machines within reach. I will also show how fabrication disorder in photonic crystal waveguides results in Anderson Localization, an effect that can be used in biosensing as well as for designing random lasers. If time permits, I will also introduce our most recent studies on enhancing plasmonic and mechanical biosensors. Host: Marin Soljačić

10 years, 6 months

[Aspuru-Guzik group list] flyers

by Sawaya, Nicolas

I wanted to share what the Open House flyers might have looked like...

10 years, 6 months

[Aspuru-Guzik group list] Flaskbox Update

by Trepte, Kai

Hi Everyone: I wanted to thank those of you who have taken the time to share your perspectives on Flaskbox with me. It is my hope that I will be able to touch base with each of you personally to get feedback. One very interesting capability that emerged from the conversations that I have had is that it would be great to be able to put molecular files into a directory and have them submitted and submitted and run on the Odyssey cluster with the results being returned to another directory or parsed into the molecular database. If this is something of interest to the group we could start working on this capability once we have the major bugs resolved. Thanks to your file sharing we have uncovered three serious bugs in Flaskbox. 1. Flaskbox crashes when a directory with more than 500 directories is shared with us. We used recursion to traverse the directory tree and we are blowing the Python call stack. This manifested itself in the initialization process when a directory is shared with us for the first time. To solve this issue we will use loops rather than recursion to traverse directory structures. This will be the second issue that we address because it is preventing us from ingesting files when users share a folder with us. 2. Flaskbox is slow when it comes to handling large numbers of files. We built the first version of the software to be single threaded. We will use multi-processing to address this issue. This is a fairly complex task so it may take some time to implement. 3. Flaskbox crashes when mixed case is used in a windows environment when a directory with "flaskbox" in its name is shared with us. We built the first version thinking that our "Flaskbox" would be the only directory of that name. We will alter our code to remove this assumption. This will be the first issue that we resolve because it is causing Flaskbox to crash on a frequent basis. As a result of these bugs, Flaskbox will be down for this weekend and most of next week. If this causes any issues please let me or Carolina know and we will come in over the weekend and add "patches" to the code to keep Flaskbox running. If this does not pose an issue, we will spend additional time to put more permanent fixes in place. Thank you all for taking the time to help us through the alpha test. We have solutions for all of the bugs we have encountered so far so keep the new bugs coming. We will keep you updated as things develop. With Respect, Team Flaskbox

10 years, 6 months

[Aspuru-Guzik group list] Fwd: [ Berlin 11 Open Access Meeting 2013]

by sarah mostame

---------- Forwarded message ---------- From: <juguma(a)pks.mpg.de> Date: Fri, Oct 11, 2013 at 3:33 PM Subject: [ Berlin 11 Open Access Meeting 2013] To: pksall(a)pks.mpg.de Dear all, Max Planck Society will be hosting the Berlin 11 Open Access - Satellite Conference specifically for students and early stage researchers on November 18th in Berlin, Germany. The meeting will gather students and early stage researchers from around the world for a discussion of how Open Access affects the next generation of researchers ? http://www.righttoresearch.org/act/berlin11. Details see below. To those not interested: sorry for the spam. ----------------------------------------------------------------------------------------------- Hello Dear All, In conjunction with this year’s Berlin 11 Open Access meeting ( http://berlin11.org/ ), the Max Planck Society and Right to Research Coalition will host the first-ever Berlin 11 Open Access - satellite conference specifically for students and early stage researchers on November 18th in Berlin, Germany http://www.righttoresearch.org/act/berlin11. The meeting will gather students and early stage researchers from around the world for a discussion of how Open Access affects the next generation of researchers. The meeting will feature presentations from leading voices of the Open Access community and will foster a discussion around the current state of Open Access, the unique challenges and opportunities students and early stage researchers face in the transition to Open Access. We are also excited to share that the conference will include presentations from Jack Andraka (Winner, 2012 Intel Science Fair), Alek Tarkowski (Former Member of the Board of Strategic Advisors to the Prime Minister of Poland), Cameron Neylon, (Director of Advocacy for the PLOS), Heather Joseph (Executive Director of SPARC), and Mark Patterson (Executive Director of elife). On the conference website, you can now apply to attend the satellite conference. The short application shouldn't take much time and is necessary to ensure a diverse, representative, and active group of participants for this unique meeting. With generous support from the Max Planck Society, many participants will have the opportunity to have their travel and accommodation expenses covered by travel scholarships, which you can request directly from the application! Applications are due by midnight on October 14th 2013. You can find more information, including a complete list of speakers and available logistical details, on the conference website.I hope you will apply today and look forward to seeing many of you at the conference on November 18th! cheers Prateek Mahalwar ------------------------------------------------------------------------------- Organising committee memberBerlin 11 Open Access - Satellite Conference Seminar Section (PhDnet) Max Planck Institute for Developmental Biology Germany

10 years, 6 months

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aspuru-list October 2013