aspuru-list November 2017

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[Aspuru-Guzik Group List] [Buona[Perovskite-seminars] Excitonics/Perovskite Seminar, Friday, Nov 17 at 12 noon

by Zhe Liu

6 years, 5 months

[Aspuru-Guzik Group List] Fwd: [ITL-university-contacts] Postdoctoral Research Opportunities at NIST

by Alan Aspuru-Guzik

Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M138 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: Ronald Boisvert <ronald.boisvert(a)nist.gov> Date: Mon, Nov 13, 2017 at 11:34 PM Subject: [ITL-university-contacts] Postdoctoral Research Opportunities at NIST To: itl-university-contacts(a)nist.gov SaneAttachments has copied these files to *Dropbox* [image: SaneBox] PostdocPgmFlyerv101817.pdf <https://www.dropbox.com/s/pzp0fskc44jdo4y/PostdocPgmFlyerv101817.pdf?dl=0> Dropbox/SaneBox/Ronald Boisvert/_ITL-university-contacts_ Postdoctoral Re_, 2017-11-13 02.34.02 PM/ One of our technical staff members identified you as someone with research interests that overlap with ours, and who might have students looking for postdoctoral research opportunities. If so, please consider passing this information along. Details can be found below. A one-page flyer suitable for posting is also attached. Best regards, Ron Boisvert Acting Associate Director for Program Implementation NIST Information Technology Laboratory ============================================================ =============================== The National Institute of Standards and Technology (NIST) is offering awards for postdoctoral research, which may be of interest to Ph.D. students or postdoctoral researchers in your department. These awards are provided as part of a program called the Postdoctoral Research Associateship Program, which is administered for NIST by the National Research Council of the National Academies of Sciences, Engineering, and Medicine. This program gives recent Ph.D.s the opportunity to work on site at NIST labs in Gaithersburg, MD, or Boulder, CO on projects related to NIST’s mission in measurement science, standards, and technology. Participants perform research leading to publication, access NIST’s excellent and often unique facilities, and collaborate with leading scientists and engineers. Prospective applicants first identify a Research Adviser compatible with their interests from a large group available. They should then contact that person to discuss potential research projects. Once a willing adviser has been identified, the applicant can submit a research proposal through the NRC Research Associateship Program’s online application system. Reviews are conducted twice each year (with application deadlines of February 1 or August 1), and results are available to applicants six to eight weeks later. Successful applicants, or “Research Associates,” serve a two-year term, with an annual salary of $69,533, along with health insurance, relocation benefits and an allowance for professional travel. NIST provides access to facilities, equipment, and funding for supplies. Please note that awardees must hold U.S. citizenship and have held the Ph.D. less than five years at time of application. Also, all male applicants born after Dec. 31, 1959 must have registered with the Selective Service System or hold an exemption. Research opportunities within NIST’s Information Technology Laboratory are available at: https://www.nist.gov/itl/nrc-postdoctoral-research- fellowships-itl If you have any questions, please feel free to contact me at boisvert(a)nist.gov. I hope that some of your Ph.D. students or postdoctoral researchers will take advantage of this opportunity. _______________________________________________ ITL-university-contacts mailing list ITL-university-contacts(a)nist.gov https://email.nist.gov/mailman/listinfo/itl-university-contacts

6 years, 5 months

[Aspuru-Guzik Group List] Excitonics/Perovskite Seminar, Friday, Nov 17 at 12 noon

by Catherine M Bourgeois

How to assess operational stability of perovskite solar cells with reversible degradation? November 17, 2017 at 12 noon/ rm: 34-401B Eugene Katz Ben-Gurion University of the Negev, Israel/ Department for Solar Energy and Environmental Physics [http://www.rle.mit.edu/excitonics/wp-content/uploads/2016/12/katz..jpg] Development of hybrid organic-inorganic halide perovskite solar cells (PSCs) combining high performance and operational stability is a key issue for implementation of this technology. Both reversible improvement and reversible degradation of PSC efficiency were previously reported under illumination-darkness cycling. Quantifying the performance and stability of cells exhibiting significant diurnal performance variation is challenging and requires specific protocols. In this talk I will discuss outdoor stability measurements of two types of devices showing either reversible photo-degradation or pronounced reversible efficiency improvement under sunlight-soaking. Analysis of the results suggests that the figures of merit for photovoltaic performance and stability of such devices should be reconsidered. Instead of the classical approach of reporting the initial (or stabilized) efficiency value and estimation of T80, we propose to use the value of energy output generated during the first day of the exposure (or first illumination period in the light/darkness cycling indoor) and the time needed for reaching its 20% drop, respectively. The latter accounts for both the long-term irreversible degradation and the reversible diurnal efficiency variation and does not depend on the type of processes prevailing in a given perovskite cell. Possible underlying mechanisms for reversible, irreversible and apparently irreversable performance losses will be discussed on the basis of I-V curves evolution, transient electrical measurements and photoluminescence studies. Eugene A. Katz received his MSc degree in Semiconductor Materials Science in 1982 and Ph. D. in solid state physics in 1990 from the Moscow Institute of Steel and Alloys. He has research experience in field of photovoltaic materials and devices for more than 30 years. The topic of his Ph. D. thesis was "Atomic structure and electronic properties of grain boundaries in polycrystalline silicon solar cells". In 1995, he joined the Ben-Gurion University of the Negev and has been working in the Department for Solar Energy and Environmental Physics ever since (now as a full professor). His research interests include areas of applied solar energy, photovoltaics based on non-traditional semiconductors (fullerenes, nanotubes, conjugated polymers, perovskites), photovoltaic characterization of AIIIBV concentrator solar cells at ultra-high concentration of natural sunlight (up to 10,000 suns) and synthesis of nanomaterials by concentrated sunlight. He has published more than 100 peer-reviewed papers on these topics. In addition, has published a book and articles for broader audiences on the history of science and fullerene-like structures in nanomaterials, living organisms and architecture. 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

6 years, 5 months

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

by Aram Harrow

Dear quanta, We will meet tomorrow at the usual time and place (6-310, 11am). Steve and Lior will both speak. -aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

6 years, 5 months

[Aspuru-Guzik Group List] Fwd: CSULA Faculty Position Announcement

by Alan Aspuru-Guzik

Alán Aspuru-Guzik | Professor of Chemistry and Chemical Biology Harvard University | 12 Oxford Street, Room M138 | Cambridge, MA 02138 (617)-384-8188 <(617)%20384-8188> | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: Nickolaisen, Scott <snickol(a)exchange.calstatela.edu> Date: Thu, Nov 9, 2017 at 3:41 PM Subject: CSULA Faculty Position Announcement To: "alan(a)aspuru.com" <alan(a)aspuru.com> Dr. Alán Aspuru-Guzik, The Department of Chemistry & Biochemistry at California State University, Los Angeles is currently recruiting for a faculty position in *Theoretical/Computational Chemistry* at the rank of *Assistant Professor*. We would appreciate if you would inform doctoral students and/or post-docs in your group and throughout your department who are looking for faculty positions of this opening. The position will begin in August, 2018 with the Fall academic term. The full position announcement can be found on the University’s website at: http://www.calstatela.edu/2018/college-natural-social-sciences/nss-cb-ttf2 CSULA is a comprehensive urban university located east of Downtown Los Angeles with an enrollment of approximately 28,000 students representing one of the most diverse populations in the country. The Department of Chemistry & Biochemistry offers B.S. degrees in Chemistry and Biochemistry and an M.S. degree in Chemistry with the optional emphasis in Biochemistry. The Department hosts more than undergraduate 800 majors and approximately 50 Master’s students. The Department has a strong tradition and commitment to research success involving undergraduate and Master’s students, and its 16 full-time faculty are active in teaching and research with an ethnically and socioeconomically diverse student population. We invite interested candidates to apply for this position in Theoretical/Computational Chemistry by the Nov. 27, 2017 deadline. Thank you for your help. Dr. Scott Nickolaisen Professor of Chemistry California State University, Los Angeles snickol(a)calstatela.edu (323) 343-2382

6 years, 5 months

[Aspuru-Guzik Group List] Klaus Müller visit

by Jennifer Wei

Hi all, Prof. Klaus-Robert Muller <https://www.ml.tu-berlin.de/menue/members/klaus-robert_mueller/> will be visiting the group on Nov. 15, and giving a talk at 11am - 12pm. His research involves interpretable machine learning models, and in particular machine learning models for quantum chemistry and molecular dynamics. Please see below for his title and abstract. His schedule is very tight as he will only be coming for the morning. If you are interested in meeting with him, let me know. It is likely that multiple people will have to share a meeting time, but I will do what I can to schedule everyone. Best, Jennifer ------------------------------------------------------------- Klaus-Robert Müller TU Berlin, Korea University, MPII Nov. 15, 11 - 12pm Maxwell Dworkin 119 The talk starts by gently introducing selected machine learning (ML) concepts useful for analysing data from atomistic simulations, namely kernel methods and deep learning. Based on this and if time permits, two applications of ML usage are presented (1) ML for predicting quantum mechanical properties across chemical compound space and (2) ML for molecular dynamics. Finally, the importance of understanding of ML models obtained from training on data of atomistic simulations is stressed.

6 years, 5 months

[Aspuru-Guzik Group List] Group meeting, Thu Nov 09, 1:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow Mahmoud will talk at group meeting, with an updated title and abstract - see below! Note the different time than usual. All the best, Ian ----------------- Title: VQE and open quantum systems Abstract: In this talk, I will explain very shortly about Electronic Structure Theory and quantum coupler-cluster methods in quantum chemical processing and after that I consider Liouville–Fock space formalism in open quantum system. In this method Lindblad master equation is linear in density matrix and it is first-order differential equation and is possible to use it in nonequilibrium quantum systems. In the second part of my talk, I want to use this formalism to VQE (vibrational quantum eigensolver) and implementation of quantum circuits with using classical optimization for open quantum systems and nonequilibrium systems.

6 years, 5 months

[Aspuru-Guzik Group List] Seminar by Leslie Vogt-Maranto in 3 min in room M-217

by Semion Saikin

Just a friendly reminder, there is a seminar by Leslie, right now! ---------- Forwarded message ---------- From: Florian Hase <fhase(a)g.harvard.edu> Date: Tue, Nov 7, 2017 at 9:19 PM Subject: [Aspuru-Guzik Group List] Seminar by Leslie Vogt-Maranto tomorrow at 11 am To: A-G Group <aspuru-list(a)lists.fas.harvard.edu> Hi everyone, just a quick reminder that we will have Leslie Vogt-Maranto visiting our group tomorrow. Leslie will give a seminar at 11 am in M-217. Please find the abstract below. Hope to see you all there! Best Flo Abstract: Accurately determining the structure of molecular solids is of critical importance for scientists working with pharmaceuticals, novel materials, and high energy compounds. While the ability to predict the structure of a three-dimensional crystal from molecular connectivity remains challenging, great progress has been made in the last few years. I will share examples of my work that highlight the increasing importance of computational chemistry in elucidating both the structure and relative energies of molecular crystal structures. The molecular dynamics methods we use to determine the relative free energy of putative crystals can be computationally expensive, so I will also share our recent progress in developing machine learning techniques to map molecular structures to energies using the electron densities as an intermediate. With a trained model that bypasses solving the Kohn-Sham equations at each step, we can run molecular dynamics more efficiently and demonstrate the power of the method to describe the intramolecular proton transfer in malonaldehyde. -------- Forwarded Message -------- Subject: Visit of Leslie Vogt-Maranto tomorrow Date: Tue, 7 Nov 2017 10:31:34 -0500 From: Florian Hase <fhase(a)g.harvard.edu> <fhase(a)g.harvard.edu> To: A-G Group <aspuru-list(a)lists.fas.harvard.edu> <aspuru-list(a)lists.fas.harvard.edu> Hi everyone, we will have Leslie Vogt-Maranto visiting our group tomorrow (https://wp.nyu.edu/tuckerman_group/current/dr-leslie-vogt-maranto/). Leslie is a former PhD student of the group and currently an assistance research scientist with Mark Tuckerman at NYU. Her current research focuses on enhanced sampling molecular dynamics techniques for crystalline polymorhps and machine learning for molecular dynamics. Leslie will give a seminar at 11 am tomorrow in M-217. Please let me know if you are interested in meeting with her. I still have a few open slots in the morning. Cheers Flo _____________________________________________ Aspuru-List mailing list Aspuru-List(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-list -- ******************************************** Semion K. Saikin, PhD Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Cambridge, MA 02138 email: saykin(a)fas.harvard.edu phone: (619)212-6649 ********************************************

6 years, 5 months

[Aspuru-Guzik Group List] [qip] Mihir Pant thesis defense, Nov 14

by Aram Harrow

Dear quanta, This thesis defense should be of interest to many of us. Please contact Mihir (cc'ed) if you haev questions. Name: Mihir Pant Title: Architectures for photon-mediated quantum information processing Advisor: Dirk Englund Date: Tues, Nov 14, 2017 Time: 2:30PM Location: Grier A (34-401 A) Abstract: Quantum computing holds the promise of providing an exponential speedup for several computational tasks. Quantum repeaters could allow long-distance entanglement generation which can, in turn, enable distributed quantum computation, secure communication, and precision sensing. However, building a useful quantum computer or quantum repeater using currently known architectures is beyond current experimental capabilities. Photon-mediated quantum information processing may be a path to realizing such devices because of the scalability offered by recent advances in integrated photonics and the natural role of photons as information carriers. Furthermore, the stochastic noise in photonic qubits can be much smaller than ion-trap and superconducting qubits. On the other hand, photonic architectures must often contend with other non-idealities like photon loss and the probabilistic nature of linear optics. The resource requirements for building an all-optical quantum repeater capable of beating the repeaterless bound, using multiplexing based creation of photonic cluster states, are studied. We find several improvements which reduce the resource requirements by five orders of magnitude. We then analyze a ``one-way" repeater based on the quantum parity code which reduces the resource requirements by another order of magnitude. In order to further reduce the resource requirements, ideas from percolation theory can be used to create resource states for universal quantum computing from 3-photon GHZ states without feed-forward. We develop a new framework for studying such percolation-based creation of photonic clusters which is used to find better lattices and find the the limits of such an approach. We use a similar idea to develop an architecture for cluster state creation in a system of atomic memories connected via photonic links, with an analysis focussed on nitrogen vacancy (NV) centers in diamond. Finally, we develop an entanglement routing protocols for quantum networks in which every node only needs to perform entanglement swaps. _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

6 years, 5 months

[Aspuru-Guzik Group List] Group meeting this week 1:30 PM on Thursday

by Ian Kivlichan

Hi all, Heads up that group meeting this week will be at 1:30 on Thursday. Still in the Div Room. Best, Ian

6 years, 5 months

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aspuru-list November 2017