aspuru-list June 2016

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20 participants
47 discussions

[Aspuru-Guzik Group List] [qip] Special Seminar: Raffaele Santagati, University of Bristol - Monday, June 20, 2016, 11:00 AM

by Janice L Balzer

Special Seminar Monday, June 20, 2016 11:00 AM Haus Room, 36-428 Raffaele Santagati University of Bristol Towards quantum information processing in silicon quantum photonics Abstract Silicon photonics with the ability of integrating lasers, photon pair sources, modulators, filters and detectors is a promising technology for the development of integrated quantum photonics. In this talk I will present our most recent experimental results going from the generation and analysis of entangled states on-chip to the application of silicon photonics to quantum information processing. I will show how, using integrated photon pair sources in silicon waveguide we implement non-compiled controlled unitary operations of 2 qubits and a new variational protocol for quantum simulation. Brief Biography After I graduated from "Sapienza University of Rome" in Physics, I worked at the CNR-ISC (Institute for Complex Systems), where we studied experimentally and quantitatively collective animal behaviour (flocks). Then I moved to Grenoble (FR) where I worked at the European Synchrotron Radiation Facility in the inelastic X-ray scattering beam-line and where I wrote my master thesis. After my MSc I spent some time in industry working on Medical and Clinical applied research. In 2012 I started studying at the Centre for Quantum Photonics in Bristol, where I received a PhD last March and where I am continuing as PDRA. My recent work is focused mainly in silicon quantum photonics and its use for quantum information processing. I am fascinated by the applications of this technology and in particular by quantum simulation on quantum computers. _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

7 years, 10 months

[Aspuru-Guzik Group List] Postdoc Candidate Talk Thursday at 11:00 in the Division Room

by Christoph Kreisbeck

Hi Everyone, we will be hosting Johnathan Thirman on Thursday. His talk will be in the Division Room from 11am-12pm. The title and abstract are below. Best Christoph An energy decomposition analysis for second-order Møller–Plesset perturbation theory based on absolutely localized molecular orbitals Intermolecular interactions control the properties and behaviors of a wide variety of systems. Intuitively, the forces between molecules can be divided into several different categories, such as London dispersion force, induced dipole forces, permanent dipole forces, and covalent-type interactions, each with their own characteristic strengths, properties, and decay rates. The standard supermolecule approach gives accurate binding energies, but combines all different intermolecular interactions into a single number. Energy decomposition analysis (EDA) methods exist to divide the total binding energy into its physically meaningful components. However, there has been limited development of EDAs for second-order Møller--Plesset perturbation theory (MP2), despite its utility for intermolecular interactions. An energy decomposition analysis of intermolecular interactions is proposed for MP2 based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It is based on dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen electrostatic interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen electrostatics by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. In fact, these effects may be strong enough to make the overall effect of correlation anti-binding.

7 years, 10 months

[Aspuru-Guzik Group List] Group meeting, June 9, 3:30 PM, Div room

by Ian Kivlichan

Hi everyone, Tomorrow Jennifer will talk at group meeting (starting at 3:30, not 2:30!). We'll continue at 3:30 from now on, and will soon get beers for the "Great Ideas" segment. Jennifer's abstract is below. Best, Ian ----------------- Speaker: Jennifer Wei Title: Predicting elementary organic chemistry reactions with fingerprints Abstract: As shown by several projects in our group, using fingerprinting methods with machine learning on molecules us to predict individual properties such as solubility, free energies, and PCE values. I will present a method for expanding this method to organic chemistry reactions. In this method, the fingerprints of the reactant molecules are used to predict the reaction type of the reaction in question. Once the reaction type is known, it is possible to make a preliminary guess of the structure of the products. This method can be extended for generating synthetic pathways for complicated molecules.

7 years, 10 months

[Aspuru-Guzik Group List] LEGOland 7pm next Wed

by Joey Goodknight

Hey Everyone, Thomas, Jennifer and I were going to go check out the LEGOland adult night next wed at 7pm and hope some some more might join us! https://www.legolanddiscoverycenter.com/boston/news-events/event/13636/adul… normally you have to have a kid (parents have all the luck...) but for one night a month, they let in people without children :D I've been before and it's pretty cool! There's a simple cash bar and some giveaways in addition to all the legoland attractions including rides, lego building contests, and lego models of Boston. You can get tickets at outings and innings beforehand https://outingsandinnings.harvard.edu/online/default.asp?doWork::WScontent:… or buy them at the door for more money. Let us know if you'll be going!! It's not the easiest place in the world to get to on the T, so maybe we can pool together and get an uber for cheap. -Joey

7 years, 10 months

[Aspuru-Guzik Group List] FW: Special Seminar on Thursday, June 16 at 2:00 p.m. in Pierce 209

by Ploucha, Clare Dolores

Hello, Please find below notice of a talk which may be of interest, to take place Thursday, June 16 at 2:00pm in Pierce 209. Best, Clare -- 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 Special Seminar, Thursday, June 16 at 2:00 p.m. in Pierce 209 "Hybrid Optical Fibers: a new base for photonic devices in fiber form" Professor Markus A. Schmidt Leibniz Institute of Photonic Technology, Fiber Sensors Research Group, and Otto Schott Institute of Material Research, Jena, Germany Abstract Hybrid optical fibers are fiber-type waveguides including multimaterial large-aspect ratio nano- and microstructures. Due to their unique properties these fibers have found applications in various fields such as coherent light generation or biophotonics. In this talk I will review our latest results on fiber-based plasmonics including spiraling surface plasmon modes, fiber-based near-field probes and nanoparticle enhanced fibers. I will also talk about detection of nanoobjects using nanobore fibers and about our recent developments in the field of hollow-core optical fibers with the focus on anti-resonant guidance in the UV. References 1. M.A. Schmidt, A. Argyros, and F. Sorin, Hybrid Optical Fibers - An Innovative Platform for In-Fiber Photonic Devices. Advanced Optical Materials 4, 13 (2016). 2. R. Spittel, et al., Curvature-induced geometric momenta: the origin of waveguide dispersion of surface plasmons on metallic wires. Optics Express 23, 12174-12188 (2015). 3. A. Hartung, et al., Low-loss single-mode guidance in large-core antiresonant hollow-core fibers. Optics Letters 40, 3432-3435 (2015). 4. S. Faez, et al., Fast, Label-Free Tracking of Single Viruses and Weakly Scattering Nanoparticles in a Nanofluidic Optical Fiber. ACS Nano 9, 12349-12357 (2015). CV Markus A. Schmidt owns a professorship for Fiber Optics at the Friedrich-Schiller University Jena and is head of the research group Fiber Sensors at the Leibniz Institute for Photonic Technologies (IPHT). His main research topic is combining fibers and nanophotonics with applications in areas such as biophotonics, plasmonics or nonlinear optics. >From 2006 to 2012 he was head of the group nanowire in the division of Philip St. J. Russell at the Max Planck Institute for the Science of Light in Erlangen, Germany. He spent twelve months at the Centre of Plasmonics and Metamaterials at Imperial College London in 2011 and obtained his PhD in 2006 from the Hamburg University of Technology, Germany.

7 years, 10 months

[Aspuru-Guzik Group List] Fwd: BASF Research Forum 2016

by Alan Aspuru-Guzik

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: Christopher D Hewitt <christopher.hewitt(a)basf.com> Date: Thu, May 19, 2016 at 1:34 PM Subject: BASF Research Forum 2016 To: "alan(a)aspuru.com" <alan(a)aspuru.com> Cc: Christopher D Hewitt <christopher.hewitt(a)basf.com>, Marc Schroeder < marc.schroeder(a)basf.com>, Kim M Lenahan <kim.lenahan(a)basf.com> *SaneAttachments*: The attachments in this email have been copied to Dropbox by the magic of SaneBox <http://sanebox.com>. BASF Research Forum 2016 Application.docx <https://db.tt/joFggMcH> - Dropbox/SaneBox/Christopher D Hewitt/BASF Research Forum 2016, 2016-05-19 01.34.29 PM/ * Click the link above or find it in Dropbox with the path of the file provided next to the link. You can also forward this email as usual. Learn more <http://help.sanebox.com/customer/portal/articles/473528-sane-attachments>. * ------------------------------ Dear Professor Aspuru-Guzik: BASF Corporation, USA, will be holding a two-day forum for scientists who are completing their PhD or in the first year of their Postdoctoral research in the US, Mexico or Canada. The following disciplines will be represented: - Chemistry - Industrial Biotechnology - Plant Biotechnology - Chemical Engineering - Materials Science - Computer modeling The forum offers the opportunity to find out more about BASF’s research activities and the transition from academia. Participants will have the opportunity to talk to scientists from our main research facilities and will meet representatives from research and business management. We will also present and discuss the diverse employment and career opportunities within the BASF Group with our guests as well as engage in a number of fun group activities. In order to support networking between the participants and BASF experts, we will host a poster session with posters from all guests. *The BASF Research Forum 2016 will take place in Southfield, Michigan, from August 31-September 2, 2016.* BASF’s Southfield site is located on over 17 acres with four buildings totaling 376,000 square feet. It’s the North American headquarters of our Automotive Coatings business and the shared headquarters of our resins and performance additives for coatings, printing and packaging business. Other business units located in Southfield include automotive catalysts and our Plastics and Coatings Excellence laboratory. Just under 700 people are employed at the BASF Southfield site. The participants will be guests of BASF during the forum. BASF will cover the expenses incurred for travel, board and lodging. If you are interested having a member of your group participate in the Research Forum, please respond to this email with their name and ask them to send their application documents (attached application form, cover letter with an explanation of why they wish to attend, and resume or CV) to kim.lenahan(a)basf.com <ikim.lenahan(a)basf.com> not later than *June 17, 2016*. Since we anticipate more applications than available places, participants will be selected based on professional qualification, relevance to BASF's research topics and diversity of the group. Kind regards, *Dr. Chris Hewitt, F.R.S.C.* Science Relations Manager, North America Phone: +1 734 324-6149, Mobile: +1 724 931-9069, Fax: +1 289 360-6001 , Email: christopher.hewitt(a)basf.com Postal Address: BASF Corporation, 1609 Biddle Avenue, 48192 Wyandotte, United States *Marc Schroeder* Head of North American Center for Research on Advanced Materials Phone: +1 617 496-3862 Mobile: +1-734-819-6305 E-Mail: marc.schroeder(a)basf.com Postal Address: BASF Corporation, Harvard University, Pierce Hall 113, 29 Oxford St, 02138 MA, USA [image: We create chemistry!]

7 years, 10 months

[Aspuru-Guzik Group List] Postdoc Candidate Talk Today at 130 in the Division Room

by Thomas Markovich

Hi All, Sorry for the late notice! We will be hosting Dr Yun from MIT for a postdoc talk from 130-230 today in the division room. His talk title and abstract are below. Hope to see you there! Best, Thomas Characterizing Carbonaceous Materials through Atomistic Simulation and Data Mining Characterizing and understanding the fundamental chemistry of natural carbonaceous materials such as kerogen is of great interest to various research fields including energy production, chemical engineering, and geochemistry. Particularly, noninvasive characterization method with molecular level chemistry information is currently still missing. To bridge this gap, we have developed atomistic simulation and data mining methods that boost the resolution of conventional noninvasive characterization techniques such as UV/Vis absorption spectroscopy and Raman spectroscopy to their uncovered potential. With ensembles of atomic proxy models of carbonaceous materials, we can now use a multi-scale simulation approach to calculate and understand the UV/Visible optical property of a carbonaceous material with specific compositional chemistry. The correlation between the chemical composition of kerogen and its optical absorption properties obtained from our ensemble proxy model agrees quantitatively with experimental measurements.1 We have also developed a genome-inspired collective fingerprinting approach, which utilizes ab initio calculations and data mining techniques, to extract molecular level chemistry from the Raman spectra of heterogeneous carbonaceous materials.2 Molecular chemistry quantities such as aromatic cluster size distribution, bridgehead aromatic carbon content, and hydrogen/carbon ratio that would otherwise be inaccessible from noninvasive characterization techniques can now be obtained from the identified molecular fingerprints.

7 years, 10 months

[Aspuru-Guzik Group List] High school student from BUILD

by Alan Aspuru-Guzik

Dear all, I was approached by the organization that Dori works for, BUILD, a non profit that supports low income kids from the Boston public schools that are a first generation to go to college to see if we can host one (or maybe two) of their students. These two are their top students with a science interest. They have an A GPA and no jobs lined for the summer. BUILD would pay them a stipend so it is really up to us to host them. Of course getting permission from the department regards safety, etc. I think that giving them self paced Python tutorials, giving them simple scripts or calculations to run, website work, etc. would be appropriate. They would learn most from the experience, group meetings, etc. An opportunity like this can be eye opening and life changing. Any takers as graduate student or postdoc mentor(s) for them in the summer? I imagine you guys giving them a task and checking in on them periodically. If any undergrad wants to mentor them this could also work. Let me know today if we have any volunteers, 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

7 years, 10 months

[Aspuru-Guzik Group List] vistit Johnathan Thirman (postdoc canditate)

by Christoph Kreisbeck

Hi Everyone, Johnathan Thirman will be visiting our group on Thursday June 9th for a postdoc interview. He is about to finishing his PhD in Martin Head-Gordon's group at Berkley and his research is about method development for electronic structure calculations. If you are interested in meeting with him please let me know. There are a few lunch spots available, also. Best Christoph

7 years, 10 months

[Aspuru-Guzik Group List] Special AAG Seminar: Daniel Finkelstein-Shapiro

by Sawaya, Nicolas Per Dane

Dear Group, As Alan mentioned in group meeting, on this Monday (June 6), Dr. Daniel Finkelstein-Shapiro (<https://scholar.google.com/citations?user=sHHR6jcAAAAJ&hl=en>https://scholar.google.com/citations?user=sHHR6jcAAAAJ) will give a talk to the group. It is scheduled for 11am in the Division Room. Here are the title and abstract: Fano Interferences in Open Quantum Systems Asymmetric profiles are the distinctive spectroscopic signature of Fano systems, where a two-level system is coupled to a continuum manifold of electronic states. Constructive or destructive interference between two photoexcitation pathways to the continuum underlies the asymmetry. This profile has been extremely successful in describing systems as diverse as atoms, molecules, metallic, semiconducting and hybrid nanostructures, from observables ranging from photo-dissociation, light absorption, vibrational spectroscopy (Raman and IR) and charge transport. However the original scattering theory is not appropriate for systems with dissipation. We present the weak field radiative emission of Fano systems with dissipation in Lindblad form, as well as the exact analytical solution of the dissipative Fano model at strong field intensities. The current most sophisticated spectroscopy to study dissipation of electronic systems is two-dimensional electronic spectroscopy (2DES). We calculate the 2DES lineshape of a Fano system and show the properties of the system that become accessible. I apologize for the weekend email. Have an awesome Saturday! Cheers, Nicolas

7 years, 10 months

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aspuru-list June 2016