aspuru-list June 2018

aspuru-list@lists.fas.harvard.edu

7 participants
11 discussions

[Aspuru-Guzik Group List] Group meeting speaker this week?

by Ian Kivlichan

Hi all, I'm looking to fill this week's group meeting slot after a late change of schedule. This will be our last Thursday with Alán in town for a while so it would be really great if we can fill it :) Let me know if you have a talk you could give, or if you know someone who might! Thanks, and all the best, Ian

5 years, 10 months

[Aspuru-Guzik Group List] [qip] talk in August

by Aram Harrow

Wednesday, August 8th 11:-12:00 Haus Room Title: Toward quantum computational and sensing supremacy based on multiphoton interference speaker: Vincenzo Tamma (U Portsmouth) Abstract Multiphoton quantum interference underpins fundamental tests of quantum mechanics and quantum technologies, including applications in quantum computing, quantum sensing and quantum communication. However, standard quantum information processing schemes rely on the generation of a large number of identical photons. In particular, scattershot boson sampling experimental demonstrations of quantum computational supremacy are challenged by the need to generate the same temporal and frequency spectra for a large number N of single photons, leading to a probability of success which scales down as the root of N and only if N^2 sources are used. Here, we employ sampling in the photonic input occupation numbers when N or more input channels are occupied to achieve for the first time a probability of success arbitrary close to one with only a linear number N of sources. We also show how the difference in the photonic spectral properties, instead of being a drawback to overcome in experimental realisations, can be exploited as a remarkable quantum resource. Interestingly, we demonstrate how harnessing the full multiphoton quantum information stored in the photonic spectra by frequency and time resolved correlation measurements in linear interferometers enables the characterization of multiphoton networks and states, produces a wide variety of multipartite entanglement, and further scale-up experimental demonstrations of quantum computational supremacy. References [1] S. Laibacher and V. Tamma arXiv:1801.03832 (2018), arXiv:1706.05578 (2017) [2] V. Tamma and S. Laibacher, Phys. Rev. Lett. 114, 243601 (2015) [3] S. Laibacher and V. Tamma, Phys. Rev. Lett. 115, 243605 (2015) [4] V. Tamma and S. Laibacher, Quantum Inf. Process. 15(3), 1241-1262 (2015) _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

5 years, 10 months

[Aspuru-Guzik Group List] There is a group meeting in a few minutes!

by Semion Saikin

5 years, 10 months

[Aspuru-Guzik Group List] Group meeting, Thu June 21, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Jennifer will give our penultimate pre-move group meeting tomorrow! See below for her title and abstract :) All the best, Ian ----------------- Title: How to Write Tests and Other Good Coding Practices Abstract: I'll talk about what I learned from my Google internship in terms of writing code. We'll discuss how to write tests, and how to write code such that it is easier to test.

5 years, 10 months

[Aspuru-Guzik Group List] [Important. Time Sensitive June 19th] Moving Everything/Everyone Out of Converse 028

by Siria Serrano

Dear Group, The space at Converse 028 will now be part of the Ni Group's lab space so everything in that room (I saw bikes, computer parts, boxes, etc there yesterday) must be moved out before the end of the day (5 PM) on Tuesday, June 19th. If you are traveling or for any other reason unable to retrieve your things out of the room before Tuesday, please contact a group member *(not me)* to retrieve it for you. 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 <javascript:void(0);>** F: **617-496-9411 <javascript:void(0);>*

5 years, 10 months

[Aspuru-Guzik Group List] Goodbye Cambridge/Hello Toronto A2G2 Party Saturday 16

by Benjamin Sanchez-Lengeling

Hi all, Preparing for the party, tentatively (still have to get confirmation from the place), it will be Saturday 16 from 4pm to 10pm at Somerville Brewing Company. Please sign up to have a head count here: https://goo.gl/forms/fUspSx6F5PCFY6T03 <https://goo.gl/forms/fUspSx6F5PCFY6T03> Will send more information shortly. Hope all is well,

5 years, 10 months

[Aspuru-Guzik Group List] Postdoc candidate talk Fri Jun 15th 2:30pm Division room : "Reverse engineering: from device to photoactive molecule"

by Sheberla, Dennis

Hi All, Please join the postdoc candidate talk tomorrow at 2:30pm at division room. See bellow for her title and abstract. Best, Dennis Reverse engineering: from device to photoactive molecule Dr. Jenya Vestfrid University of Toronto, Department of Chemical Engineering & Applied Chemistry, 200 College Street, Toronto, Ontario, Canada, M5S 3E5 Organic photovoltaic holds a great promise as additional (and alternative) sustainable energy solution. Understanding basic working principles of the device, along with fabrication and testing, is desirable to use as additional guidelines during the synthetic process. Moreover, as the final goal is the application, aspects of simplicity and scalability are crucial. In my talk I will describe the effect of chemical modifications on specific properties of the molecules within the above mentioned rational. The first example is focused on assessment of structure-device performance relationship, while the second example suggests additional parameters to take into account while evaluating performance of solar cells.

5 years, 10 months

[Aspuru-Guzik Group List] Group meeting, Thu June 14, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Zhenpeng will speak at group meeting. See below for his title and abstract. All the best, Ian ----------------- Title: Towards Understanding and Designing of Advanced Li-ion Batteries from First-principles Abstract: Lithium ion batteries (LIBs) have been the most prominent electrochemical energy storage technology over the past decades and enabled the wireless evolution of portable electronic devices. Yet the expanded use of renewable but intermittent energy sources coupled with increasing demand for electric transportation vehicles put forward requirements to electrochemical energy storage techniques for higher capacity, lower cost, and fast rate capacity. State-of-the-art LIB electrodes are typically lithium transition metal oxides and phosphates, which store (release) the electrical energy via the Li extraction and re-accommodation, accompanied by redox reactions of TM cations. The specific capacity of the electrode is therefore limited by the safe amount of Li can be removed from the system without causing structure collapse and the number of electrons per TM cation that can participate in the redox reaction. To boost the capacity and energy density, conversion reaction electrode materials which can overcome the inherent structural limitation and anionic redox active electrodes with oxygen ions complementarily providing the charge- compensating electrons were introduced to the rechargeable battery chemistry. Here we use the density functional theory (DFT) based first-principles calculations to understand the electrochemical charge and discharge of the conversion reaction electrodes via exploring the equilibrium and non-equilibrium thermodynamics with a mechanistic method as designed. We provide detailed information for the origin of large voltage hysteresis and volume expansion which have been hindering the practical application of conversion reaction materials and offer tips on alleviating them through reasonably operation range restrictions. For the anionic redox active electrodes, we demonstrate how the coordination structure and bonding environment enable the reversible oxygen redox in the 3d metal oxides. The specific redox active Li6-O local Li-excess configuration as identified for the iron oxide electrode enriches the anionic redox battery chemistry with a low-cost high energy density battery designed. For the manganese oxide anionic redox active electrodes, we predict novel materials with improved properties compared to the original system through high-throughput DFT screening. On the other hand, using kinetics calculations we discover a novel 2-dimensional material with superior electric and ionic conductivity compared to traditional 2-dimensional nanosheet-like graphene which can be used to boost the rate capacity of state-of-the-art LIBs. We accurately reveal the mechanism of the kinetics-dominated electrochemical sodiation and lithiation reactions of selenium. We clarify the relationship between the stability and ionic conductivity of the complex borohydride based lithium ion conductors and giving guidance on their further investigations. Our findings will shed light on the development of the next generation, high energy density, and fast rate advanced lithium ion batteries.

5 years, 10 months

[Aspuru-Guzik Group List] Postdoc candidate Jenya Vestfrid visit on Friday June 15th

by Sheberla, Dennis

Hi All, We will have a visit of postdoc candidate this Friday. She is experimental organic chemist on will be working on robotic synthesis. She will give a talk at Division room 2:30-3:30pm. I will send an abstract for the talk later. Please let me know if you want to meet with her and/or have a lunch (12pm-1:30pm) on Friday. Cheers, Dennis

5 years, 10 months

[Aspuru-Guzik Group List] [qip] group meeting tomorrow

by Aram Harrow

Dear quanta, Let's meet tomorrow at 11am in 6-310. We will go around the room and give updates. We can also think about what we want to do with the IBM visitors next week. -aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

5 years, 10 months

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aspuru-list June 2018