aspuru-list April 2016

aspuru-list@lists.fas.harvard.edu

25 participants
54 discussions

[Aspuru-Guzik Group List] Excitonics Perovskite Seminar - Tomorrow- April 15, 3pm in RLE Allen: 36-462

by Catherine M Bourgeois

Please note time and location: 3pm in RLE Allen: 36-462 Please post and forward to your groups _______________ CENTER FOR EXCITONICS presents:<http://www.rle.mit.edu/excitonics/> Excitonics/Perovskite Seminar: Disruptive Low-Cost Thin-film Photovoltaics: A Pathway for 'Solution-less' Perovskite Solar Cells April 15, 2016 at 3pm/ rm: 36-462 Gregory J. Wilson Research Group Leader for Solar Energy Systems and Principal Research Scientist for Next Generation Photovoltaics, CSIRO Energy. Australia [gwilson-pic-4] In recent years organometal halide perovskite structures have emerged as an inexpensive and revolutionary family of photoactive semiconductors in thin-film PV: arguably the biggest disruption to photovoltaics development in 60+ years since Bell Labs revolutionized silicon - Science Magazine touted it as 'one of the top scientific breakthroughs of 2013'. Although power conversion efficiency (PCE) for high performance devices is currently recognised as 21.02% (0.1cm2) / 15.0% (1.017cm2), module efficiencies are the next logical step to be recognised (early reports indicate 6-8% PCE). Nevertheless, emerging photovoltaic (PV) technologies such as Perovskite solar cells, although showing extremely encouraging performance, present significant measurement challenges compared to more established PV technologies. In this presentation I'll give an overview of CSIRO (The Australian, Commonwealth Industrial Research Organisation) and the Solar Energy Systems Research Group and expand on our collaborative research program into thin-film perovskite photovoltaic. I'll describe our investigation of processes for large-area deposition and perovskite film formation toward 'solution-less' fabrication of glass cells and modules and our undertaking in the development and dissemination of best-practice guidelines to promote a culture of high accuracy measurement excellence in Australia. Further, I'll present parallel studies into large-grain crystal growth via a modified interdiffusion method to improve crystallisation and film planarity and the application of a 'metal-free' all-carbon electrode that surpasses TCO coatings whilst retaining flexibility. Gregory Wilson is a Solar Energy Specialist and is Research Group Leader for Solar Energy Systems and Principal Research Scientist for Next Generation Photovoltaics in CSIRO Energy in Australia. He was the 2010 Winner of the QUT Faculty of Science and Technology Outstanding Young Alumni of the Year and is the 2015 CSIRO Office of the Chief Executive Julius Career Awardee in Energy. Dr Wilson is a member of the Editorial Board for several journals in the solar energy and materials chemistry fields and is a regular peer reviewer in high impact international science journals. This talk is part of the Perovskites Seminar Series organized by Sam Stranks and sponsored by the Center for Excitonics. For more info contact Sam: stranks(a)mit.edu<mailto:stranks@mit.edu> Light refreshments will be served.

8 years, 2 months

[Aspuru-Guzik Group List] Group Meeting, April 14, 2:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Doran will give group meeting. His talk is titled "Searching for the design principles of natural and artificial light harvesting". See you tomorrow, Ian

8 years, 2 months

[Aspuru-Guzik Group List] Fwd: 2017 INCITE Call for Proposals

by Alan Aspuru-Guzik

Dear all, Time to think BIG. If you have a large-scale project that you think deserves an INCITE award, let me know. Alan Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: Wells, Jack C. <wellsjc(a)ornl.gov> Date: Wed, Apr 13, 2016 at 2:32 PM Subject: 2017 INCITE Call for Proposals To: Cc: "Barker, Ashley D." <ashley(a)ornl.gov> *2017 INCITE Call for Proposals * The Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program is now accepting proposals for high-impact, computationally intensive research campaigns in a broad array of science, engineering, and computer science domains. *OLCF Contact* If you plan to submit an INCITE proposal now or in the future for the OLCF, please do me the favor of following this link, https://www.surveymonkey.com/r/WL8VJ58, to communicate your intent, or contact me directly via email (wellsjc(a)ornl.gov). *Proposal Details* >From April 13 to June 24, INCITE’s open call provides an opportunity for researchers to request large allocations of computer time and supporting resources at the Argonne and Oak Ridge Leadership Computing Facility (LCF) centers, operated by the U.S. Department of Energy (DOE), Office of Science. The winning proposals will receive awards of time on Titan, the 27-petaflops Cray XK7 at Oak Ridge National Laboratory and Mira, the 10-petaflops IBM Blue Gene/Q at Argonne. INCITE will allocate more than five billion core-hours on these DOE leadership-class supercomputers in 2017. Proposals may be awarded for up to three years. Open to U.S.- and non-U.S.-based researchers, the INCITE program seeks research proposals for capability computing: production simulations—including ensembles—that use a large fraction of the LCF systems or require the unique LCF architectural infrastructure for high-performance computing projects that cannot be performed anywhere else. *Submitting a Proposal* To submit a proposal or for additional details about the proposal requirements, visit http://proposals.doeleadershipcomputing.org. Proposals will be accepted until the call deadline of 8:00 p.m. EDT on Friday, June 24, 2017. Awards are expected to be announced in November 2017. *INCITE Proposal Writing Webinar* The INCITE program, along with the two LCF centers, will host an instructional proposal writing webinar on May 19. To register: *doeleadershipcomputing.org/2017-incite-proposal-writing-webinar/ <http://doeleadershipcomputing.org/2017-incite-proposal-writing-webinar/>. * *Early Access* Director’s Discretionary requests for limited early access to Mira and Titan can be submitted any time but we recommend that if you plan to submit an INCITE proposal this year that you do not delay in requesting access. Authors often use this access to generate benchmarking data in preparation for the INCITE call for proposals. See the Related Links at *www.doeleadershipcomputing.org/contact/* <http://www.doeleadershipcomputing.org/contact/> for contacts. Please do not hesitate to contact me if you wish to discuss this opportunity in more detail. Sincerely, Jack Wells Director of Science National Center for Computational Sciences Oak Ridge National Laboratory Phone: (865) 241-2853

8 years, 2 months

[Aspuru-Guzik Group List] Excitonics Seminar: Sean Roberts, Tues. April 19, at 4:30 pm, 36-428

by Catherine M Bourgeois

Please post and forward to your groups. CENTER FOR EXCITONICS presents:<http://www.rle.mit.edu/excitonics/> Excitonics Seminar: Harvesting Solar Energy from Singlet Fission Materials April 19, 2016 at 4:30pm/ 36-428 Sean Roberts Department of Chemistry, The University of Texas at Austin [s.roberts.001] A loss mechanism that strongly impacts the performance of photovoltaic cells is the thermalization of charge carriers produced by high energy photons. One strategy to negate these losses is to combine PV cells with materials that capture energetic photons and use their energy to excite multiple electron-hole pairs. Organic thin films that undergo singlet exciton fission (SF), a process wherein a high energy spin-singlet excitation divides its energy to form a pair of low energy triplet excitations, can serve as the photon downconversion material in this scheme. In particular, perylene diimide (PDI) dyes are robust, photostable materials that possess the correct ordering of singlet and triplet energy states for SF. However, excitonic interactions between these molecules in the solid state can strongly impact the rate and yield of this process. By systematically altering functional groups placed at the PDI core's imide positions, we can shift the preferred packing structure of these materials and alter their level of excitonic coupling. Using ultrafast transient absorption spectroscopy, we find that subtle shifts in PDI intermolecular structure, particularly along the long axis of the PDI core, have a substantial impact on SF. In addition to this work, we report electronic sum frequency generation (ESFG) spectra of PDI thin films. While PDI triplet excitons possess sufficient energy to resonantly transfer to inorganic semiconductors such as silicon, changes in the electronic structure of these materials near their junction can strongly impact this process. As an even order technique, ESFG selectively probes regions of a sample that experience a breakage of symmetry such as the junction formed by PDIs and silicon. While ESFG is selective for this buried interface, ESFG signals of thin organic films can be subject to strong intensity modulations due to optical interference. As such, we have built an optical model that accounts for interference between ESFG signals emitted by different regions of a sample. We demonstrate that this model can quantitatively reproduce ESFG spectra of PDI thin films and use it to examine how the electronic structure of PDI films distorts at semiconductor junctions. Sean T. Roberts is an Assistant Professor in the Department of Chemistry at the University of Texas at Austin. Dr. Roberts received his PhD in Physical Chemistry from the Massachusetts Institute of Technology for his work using multidimensional infrared spectroscopy to study hydrogen bond rearrangements and proton transport in liquid water. After completing his degree in 2010, Dr. Roberts moved to the University of Southern California where as a researcher within the Center for Energy Nanoscience he investigated singlet exciton fission and its potential application to light harvesting systems. In 2014 he joined the faculty at the University of Texas at Austin where he heads a group that utilizes time-resolved nonlinear spectroscopy to examine energy and charge transport in nanostructured electronics. Dr. Roberts' awards include a Research Grant from the Robert T. Welch Foundation (2015), Research funding from the Air Force Office of Scientific Research (2015), a Doctoral New Investigator Award from the ACS Petroleum Research Fund (2014), and a College of Natural Sciences Advisory Council Teaching Award (2014). 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.

8 years, 2 months

[Aspuru-Guzik Group List] Excitonics Perovskite Seminar - Friday- April 15, 3pm in RLE Allen: 36-462

by Catherine M Bourgeois

Please post and forward to your groups _______________ CENTER FOR EXCITONICS presents:<http://www.rle.mit.edu/excitonics/> Excitonics/Perovskite Seminar: Disruptive Low-Cost Thin-film Photovoltaics: A Pathway for 'Solution-less' Perovskite Solar Cells April 15, 2016 at 3pm/ rm: 36-462 Gregory J. Wilson Research Group Leader for Solar Energy Systems and Principal Research Scientist for Next Generation Photovoltaics, CSIRO Energy. Australia [gwilson-pic-4] In recent years organometal halide perovskite structures have emerged as an inexpensive and revolutionary family of photoactive semiconductors in thin-film PV: arguably the biggest disruption to photovoltaics development in 60+ years since Bell Labs revolutionized silicon - Science Magazine touted it as 'one of the top scientific breakthroughs of 2013'. Although power conversion efficiency (PCE) for high performance devices is currently recognised as 21.02% (0.1cm2) / 15.0% (1.017cm2), module efficiencies are the next logical step to be recognised (early reports indicate 6-8% PCE). Nevertheless, emerging photovoltaic (PV) technologies such as Perovskite solar cells, although showing extremely encouraging performance, present significant measurement challenges compared to more established PV technologies. In this presentation I'll give an overview of CSIRO (The Australian, Commonwealth Industrial Research Organisation) and the Solar Energy Systems Research Group and expand on our collaborative research program into thin-film perovskite photovoltaic. I'll describe our investigation of processes for large-area deposition and perovskite film formation toward 'solution-less' fabrication of glass cells and modules and our undertaking in the development and dissemination of best-practice guidelines to promote a culture of high accuracy measurement excellence in Australia. Further, I'll present parallel studies into large-grain crystal growth via a modified interdiffusion method to improve crystallisation and film planarity and the application of a 'metal-free' all-carbon electrode that surpasses TCO coatings whilst retaining flexibility. Gregory Wilson is a Solar Energy Specialist and is Research Group Leader for Solar Energy Systems and Principal Research Scientist for Next Generation Photovoltaics in CSIRO Energy in Australia. He was the 2010 Winner of the QUT Faculty of Science and Technology Outstanding Young Alumni of the Year and is the 2015 CSIRO Office of the Chief Executive Julius Career Awardee in Energy. Dr Wilson is a member of the Editorial Board for several journals in the solar energy and materials chemistry fields and is a regular peer reviewer in high impact international science journals. This talk is part of the Perovskites Seminar Series organized by Sam Stranks and sponsored by the Center for Excitonics. For more info contact Sam: stranks(a)mit.edu<mailto:stranks@mit.edu> Light refreshments will be served.

8 years, 2 months

[Aspuru-Guzik Group List] THEOCHEM visit - Prof. Artur Izmaylov, April 18th

by Romero Fontalvo, Jhonathan

Hi Everyone, Professor Artur Izmaylov <http://www.utsc.utoronto.ca/~aizmaylov/Research.html> from the university of Toronto is coming on April 18th, as part of the Theochem series. He works on many topics of interest for our group, including energy and charge transfer in organic photovoltaics, open quantum systems and rational material design (http://www.utsc.utoronto.ca/~aizmaylov/Research.html). He will be here during the afternoon of April 18th (next Monday). There are spots available to meet him starting at 2 pm as well as spots for dinner. Please let me know if you are interested in any of those. Prof. Izmaylov's talk will be on Wednesday, April 20th at 4pm at MIT Building 4, Room 163, as usual. Abstract attached. Cheers, Jhonathan. -- Jonathan Romero Fontalvo *Ph.D. Student in Chemical Physics* *Harvard University* Website: https://sites.google.com/site/jonathanromeroswebsite/

8 years, 2 months

[Aspuru-Guzik Group List] Cancelled ML subgroup for 4/11

by Jennifer Wei

Hi everyone, Since we didn't have anyone sign up to present today, we're going to cancel the subgroup for this week. Sorry about that. Jennifer and Ben

8 years, 2 months

[Aspuru-Guzik Group List] questionary: a mini course on giving presentations

by Semion Saikin

Hi Guys, A couple of weeks ago at the group meeting we discussed a possibility to invite a specialist who could help us with improving our presentation skills. Before starting that we need to know how many group members are interested in this activity and what your expectations are. *If you are interested please fill this short survey until next Tuesday, April 12.* https://www.surveymonkey.com/r/W86WRP9 Thank you, Semion

8 years, 2 months

[Aspuru-Guzik Group List] [qip] Fwd: QCrypt 2016 call for papers - now accepting submissions

by Aram Harrow

QCrypt 2016, the 6th International Conference on Quantum Cryptography, is now accepting submissions for talks and posters. In addition, QCrypt is offering opportunities for industry exhibits and sponsorship. IMPORTANT DATES: (Note, all deadlines are at midnight in the US eastern time zone, GMT-0400.) * Talk submission deadline: April 29, 2016 * Talk acceptance notification: June 24, 2016 * Poster submission deadline: July 1, 2016 * Poster acceptance notification: July 13, 2016 * Conference early registration deadline: July 22, 2016 * Hot topics submission deadline: Aug. 26, 2016 * QCrypt conference: Sept. 12-16, 2016, in Washington, DC. SUBMISSION INSTRUCTIONS: Submissions should consist of a 2-3 page extended abstract, and (optionally) a full version of the paper containing technical details. For more information, see the call for papers: http://2016.qcrypt.net/call-for-papers/ (Special thanks to Matthias Christandl and the rest of the program committee.) INDUSTRY EXHIBITS AND SPONSORSHIP: QCrypt is providing space for industry exhibits at the conference venue, as well as opportunities for companies and nonprofit organizations to become sponsors of the conference. For more information, see the industry exhibits page: http://2016.qcrypt.net/industry-exhibits/ and please contact QuICS Co-Director Andrew Childs at <amchilds(a)umd.edu> for details _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

8 years, 2 months

[Aspuru-Guzik Group List] meet and/or eat with Francesco Paesani, 4.12

by Joey Goodknight

Hello Everyone, I have meeting slots all morning on April 12th with Prof Francesco Paesani of UCSD. Also lunch and dinner spots! http://paesanigroup.ucsd.edu/ Come and see/meet the man who helped make Nico the scientist he is today! -Joey

8 years, 2 months

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aspuru-list April 2016