aspuru-list November 2016

aspuru-list@lists.fas.harvard.edu

21 participants
51 discussions

[Aspuru-Guzik Group List] Group meeting, Thu Nov 03, 11:00 AM

by Ian Kivlichan

Hi all, Tomorrow Adrian will talk at group meeting (note the nonstandard time). See below for the title and abstract! Best, Ian ----------------- Title: Exploring Redox Metabolism with Electrochemistry Adrian Jinich Abstract: The original speaker for this group meeting cancelled so I am substituting for him/her. I will talk about a topic that evolved from a (not-so) crazy idea, i.e. cross-pollination of two subfields in the AAG lab: Redox Metabolism + Redox Flow Batteries. The basic idea is whether we can use techniques from electrochemistry to experimentally measure the thermodynamic (and other!) parameters of metabolic redox reactions that we’ve been working so hard on getting from quantum chemical simulations. Cyclic Voltammetry (CV) seems to be the technique of choice, and I will discuss the basics and the complications that arise from setting up a metabolic redox reaction in a CV experiment. I will discuss some ideas (thanks to Florian Hase) on how to obtain the parameters of interest from the CV curves using a mixture of Bayesian Optimization and stochastic simulation with the Gillespie Algorithm.

7 years, 6 months

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

by Ploucha, Clare

HQOC/ITAMP Joint Quantum Sciences Seminar Wednesday, November 2, 2016 4:00 PM, Jefferson 250 Prof. Mete Atature, University of Cambridge "Solid-State Spin-Photon Interfaces: Old Friends & New" Optically active spins confined in solids, such as semiconductors or diamond, are interesting and rich physical systems for quantum science and its applications. Their inherently mesoscopic nature leads to a multitude of dynamics within the solid state environment of spins, charges, vibrations and light. While the quantum optics provides a toolbox for advanced spectroscopic investigations for these interaction mechanisms, it also offers solution possibilities for their detrimental effects for the realisation of operational quantum devices. Implementing a high level of control on these constituents and their interactions with each other creates exciting opportunities for realizing stationary and flying qubits within the context of spin-based quantum information science. In this talk, I will provide a snapshot of the progress and challenges for interconnected solid-state spins, as well as first steps towards hybrid quantum devices involving emergent materials. Mihir Bhaskar, Lukin Group "Quantum Nonlinear Optics with a Germanium-Vacancy Color-Center in a Diamond Waveguide" Quantum networks require scalable architectures that enable efficient interactions between single-photons and atom-like emitters. We demonstrate a solid-state platform interfacing Germanium-Vacancy (GeV) color-centers in diamond with fiber-coupled waveguides. We infer a high radiative quantum efficiency of GeV optical transitions for temperatures up to 450 K and demonstrate a single-photon detection rate of 0.56 Mcps in a single-mode fiber on the narrowband zero-phonon line transition. GeV centers maintain their optical coherence inside nanophotonic structures as verified by nearly lifetime-broadened transition linewidths and optical Rabi oscillations at T = 5 K. These properties result in a high-cooperativity interface between waveguide photons and a single GeV without the use of a slow-light waveguide or cavity. A single GeV reduces waveguide transmission by 18 +- 1%, corresponding to a cooperativity of C = 0.10 +- 0.01. We demonstrate that the GeV-waveguide system is nonlinear at the single-photon level by probing the photon statistics of the device output field. This work paves the way towards deterministic spin-photon interfaces based on diamond color-centers in slow-light waveguides and cavities. Student Presentation from 4:00-4:10 PM Refreshments Served from 4:10-4:30 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, 6 months

[Aspuru-Guzik Group List] Group meeting 11 AM tomorrow?

by Ian Kivlichan

Hi all, We're looking at shifting tomorrow's group meeting earlier, to 11 AM. Please let me know if you have a conflict with that time. Thanks, and all the best, Ian

7 years, 6 months

[Aspuru-Guzik Group List] [Time Sensitive] Visiting Researcher

by Siria Serrano

Dear Group, Visiting Researcher, Martha Flores, arrived yesterday and unfortunately, the housing she had arranged fell through at the last minute. If anyone has a room or couch she could crash on for a few days, it would be very helpful and appreciated. Finally, if you know of any subleases, please, please email her directly at: martham14(a)gmail.com. Thanking you all, Siria -- *Siria Serrano* *Faculty Assistant* *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>*

7 years, 6 months

[Aspuru-Guzik Group List] Recent Materials Workshop Summary

by Dorsk, Alexander

Dear Group Members, This is a summary of the workshop I attended last week: https://goo.gl/EFgVao. The topic of the workshop was “Open Databases Integration for Materials Design.”: I estimate the document will take 5 minutes to scan. The summary includes a list of materials projects, tagged with these topics: 1. Machine Learning for Materials Design 2. Repositories of Calculation Results 3. Development of Theoretical Codes 4. Verification/Validation 5. Workflow Infrastructure If you are interested in learning more about the workshop, just ping me. -Alex PS: There will be stroopwaffels at Group meeting tomorrow...

7 years, 6 months

[Aspuru-Guzik Group List] EXCITONICS-PEROVSKITE SEMINAR: Juan-Pablo Correa-Baena, TODAY @ 3:30 pm, 36-462

by Catherine M Bourgeois

TODAY! Please post and forward to your groups: ---------------------------- CENTER FOR EXCITONICS SEMINAR SERIES: PEROVSKITE SEMINAR: Progress of Planar Perovskite Solar Cells for Efficiencies above 20% Wed. November 2, 2016 at 3:30 PM/ 36-462 Juan-Pablo Correa-Baena Massachusetts Institute of Technology, Department of Mechanical Engineering [j.correa-epfl] Perovskite solar cells (PSCs) have achieved certified power conversion efficiencies (PCEs) of 22.1% by low cost and low temperature solution processing. The highest efficiency perovskites are Pb-based with mixed MA/FA cations and Br/I halides and a high-temperature-processed mesoporous TiO2 layer. The simplification of PSCs by replacing the mesoporous electron selective layer (ESL) with a planar one, is advantageous for large-scale manufacturing. The planar configuration is composed of a simple stack of conductive glass, electron selective, perovskite, and hole transport layers, topped by a metal electrode. However, these low cost, low temperature mesoporous-free planar devices have struggled to keep up the high efficiencies garnered by their mesoporous counterparts. Recent breakthroughs by some of us in the community have changed this dynamic, showing that highly efficient planar PSCs are possible by understanding energetics and improving processing. Employing atomic layer deposited SnO2 as the electron selective layer yielding efficiencies of 19.5% have been demonstrated. More recently, a breakthrough in solution-processed SnO2 planar devices has yielded a record for planar PSCs of 21%. In this talk I will show some of the work that my colleagues at EPFL and I have pushed forward to achieve these results while understanding some of the underlying mechanisms in PSCs. In particular, the role interfaces play in recombination dynamics will be discussed. Dr. Juan-Pablo Correa-Baena is a postdoctoral researcher in the group of Prof. Tonio Buonassisi at the Massachusetts Institute of Technology (MIT). Before joining MIT, he spent two years as a postdoctoral researcher in the groups of Profs. Anders Hagfeldt and Michael Grätzel at the Ecole Polytechnique Fédérale de Lausanne (EPFL). Originally from Colombia, he pursued his higher education studies at the University of Connecticut, USA. His PhD work focused on the study of porous metal oxide materials, in particular, transparent conducting aerogels, and their application in dye-sensitized solar cells. At EPFL he worked on perovskite solar cell research focusing on understanding the interfacial dynamics between the perovskite materials and the electron and hole selective layers and developing new strategies to improve efficiency in planar perovskite solar cells. 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 Light refreshments will be served.

7 years, 6 months

[Aspuru-Guzik Group List] [qip] talk on Friday Nov 4: Sum of squares, quantum entanglement, and log rank

by Aram Harrow

Dear quanta, Boaz Barak is speaking on Nov 4 from 10am-1pm in room 5-234 about "*Sum of squares, quantum entanglement, and log rank".* This is part of a class but anyone is welcome to come. Here is the announcement from Boaz: ---------------------------- On Friday at MIT (5-234, 10am-1pm as usual) we will talk about a very recent (in fact yet unpublished) work of me with Pravesh Kothari and David Steurer using the sos algorithm to give a non-trivial bound for the best separable state problem in quantum information theory. Even if you don't care about quantum computing, this is a fairly natural problem of trying to find a rank one matrix in a linear subspace of matrices. The rounding algorithm is inspired by results on the log rank conjecture from communication complexity, so we will talk a bit about that as well. Due to the STOC deadline, we probably won't be able to post lecture notes for this lecture beforehand. If you want to learn a bit more about the BSS problem you can look at some of the slides/talks at this workshop http://qma2016.quics.umd.edu/ as well as these lecture notes https://arxiv.org/abs/1604.01790 though the lecture will be self contained (and will not use any ket notation :) ) _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

7 years, 6 months

[Aspuru-Guzik Group List] Theo-chem visit Nov 8 with Prof. Zimmerman

by Benjamin Sanchez Lengeling

Hi AG group Professor Paul Zimmerman from University of Michigan will be visiting us as part of the Theoretical Chemistry seminar next *Tuesday, November 8*. Prof. Zimmerman work is on the application of first principles methods to solar and catalysis challenges, interesting stuff!. ( https://sites.lsa.umich.edu/zimmerman-lab/) *Want to signup for a meeting with him and/or lunch or dinner?* Send me a note Hope all Ben Sanchez

7 years, 6 months

[Aspuru-Guzik Group List] ITAMP/HQOC postdoc lunch with Prof. M. Atature

by Hannes Pichler

Dear colleagues, tomorrow, Wednesday November 2nd, we will take this week’s ITAMP/HQOC speaker Mete Atature out for lunch at Cambridge Common. If you would like to join, please sign up via the following link (limited to 8 people): http://doodle.com/poll/92cvvdm793xupbb9 <http://doodle.com/poll/92cvvdm793xupbb9> Since Prof. Atature is at ITAMP in the morning, we meet directly at Cambridge Common at 12:00 noon. Best, Hannes

7 years, 6 months

[Aspuru-Guzik Group List] EXCITONICS-PEROVSKITE SEMINAR: Juan-Pablo Correa-Baena, Nov. 2 3:30 pm, 36-462

by Catherine M Bourgeois

Please post and forward to your groups: ---------------------------- CENTER FOR EXCITONICS SEMINAR SERIES: PEROVSKITE SEMINAR: Progress of Planar Perovskite Solar Cells for Efficiencies above 20% Wed. November 2, 2016 at 3:30 PM/ 36-462 Juan-Pablo Correa-Baena Massachusetts Institute of Technology, Department of Mechanical Engineering [j.correa-epfl] Perovskite solar cells (PSCs) have achieved certified power conversion efficiencies (PCEs) of 22.1% by low cost and low temperature solution processing. The highest efficiency perovskites are Pb-based with mixed MA/FA cations and Br/I halides and a high-temperature-processed mesoporous TiO2 layer. The simplification of PSCs by replacing the mesoporous electron selective layer (ESL) with a planar one, is advantageous for large-scale manufacturing. The planar configuration is composed of a simple stack of conductive glass, electron selective, perovskite, and hole transport layers, topped by a metal electrode. However, these low cost, low temperature mesoporous-free planar devices have struggled to keep up the high efficiencies garnered by their mesoporous counterparts. Recent breakthroughs by some of us in the community have changed this dynamic, showing that highly efficient planar PSCs are possible by understanding energetics and improving processing. Employing atomic layer deposited SnO2 as the electron selective layer yielding efficiencies of 19.5% have been demonstrated. More recently, a breakthrough in solution-processed SnO2 planar devices has yielded a record for planar PSCs of 21%. In this talk I will show some of the work that my colleagues at EPFL and I have pushed forward to achieve these results while understanding some of the underlying mechanisms in PSCs. In particular, the role interfaces play in recombination dynamics will be discussed. Dr. Juan-Pablo Correa-Baena is a postdoctoral researcher in the group of Prof. Tonio Buonassisi at the Massachusetts Institute of Technology (MIT). Before joining MIT, he spent two years as a postdoctoral researcher in the groups of Profs. Anders Hagfeldt and Michael Grätzel at the Ecole Polytechnique Fédérale de Lausanne (EPFL). Originally from Colombia, he pursued his higher education studies at the University of Connecticut, USA. His PhD work focused on the study of porous metal oxide materials, in particular, transparent conducting aerogels, and their application in dye-sensitized solar cells. At EPFL he worked on perovskite solar cell research focusing on understanding the interfacial dynamics between the perovskite materials and the electron and hole selective layers and developing new strategies to improve efficiency in planar perovskite solar cells. 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 Light refreshments will be served.

7 years, 6 months

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aspuru-list November 2016