aspuru-list September 2012

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[Aspuru-Guzik group list] Pastries leftover in Div Rm

by abs.ccb＠gmail.com

Sent from my BlackBerry

11 years, 7 months

[Aspuru-Guzik group list] Print Quality

by Joey Goodknight

Hi There, Please consider when you're printing setting the quality level to lower than default. We seem to just stream through those toner cartridges and they're not cheap (>$100 each). Thanks! -Joey

11 years, 7 months

[Aspuru-Guzik group list] Toner Matters

by Joey Goodknight

Hey Everyone, Please, when you change toner in the printers, DO NOT throw *anything* away in the new box or the old box. It turns out that there toner boxes have UPS labels in them nested in what looks like an instruction booklet which, if you're anything like me you think "Phhh, an instruction booklet for an ink cartridge, don't need that" and then promptly throw it away. We're supposed to take the box, slip the toner in its gentle plastic bubble-wrap-ish cover and then ship it off like that so literally everything in the box is needed to accomplish this--except the protective material that covers the ink in transport. I'm happy to do all this crap for you; just let me know when you change toner and/or drop all the stuff on my desk. Thanks! -Joey

11 years, 7 months

[Aspuru-Guzik group list] [Aspuru-meetings-list] September 17 AMP Seminar has been RESCHEDULED!!! AMP Seminar Monday, September 24, Nimrod Moiseyev (Technion-Israel Institute of Technology) Novel phenomena in light matter interactions based on universal control of asymmetric pathways of quantum states.

by Gonzalo Gonzalez Abad

*!!!September 17 seminar in Classroom has been rescheduled to September 24 at Phillips Auditorium!!!* Sorry for any inconvenience caused. Please join us for a seminar sponsored by the Atomic and Molecular Physics Division, Harvard-Smithsonian Center for Astrophysics. (Complete schedule at http://www.cfa.harvard.edu/amp/events.html) 11:00 AM Monday, September 24, 2012 Phillips Auditorium 60 Garden St, Cambridge, MA Title: Novel phenomena in light matter interactions based on universal control of asymmetric pathways of quantum states. Nimrod Moiseyev Schulich Faculty of Chemistry and Faculty of Physics, Technion-Israel Institute of Technology and ITAMP (visiting Fall 2012) Abstract In this talk, we will introduce fundamental phenomena in decaying systems, unravel a variety of new effects, identify their physical observables, and propose experimental settings to observe them. The rich complex dynamics in decaying open quantum systems has always been very hard to analyze with traditional tools of quantum mechanics. Hence, many fascinating effects occurring during such processes remained unraveled. Non-Hermitian quantum mechanics offers avenues to analyze the dynamics in such systems. In principle, the new phenomena that will be described can be calculated by using the standard (hermitian) description of QM. However, they can not be explained, predicted, or designed without the calculations of non-hermitian degeneracies (known as exceptional points). In the next coming weeks, a series of lectures (a mini course) will be given on the use of non-hermitian QM to calculate resonances and on the methods which are needed to calculate EPs and their effects on the dynamical behavior of the systems under study. Simple problems will be solved. The participants in the mini course are invited to propose new directions of research based on their work and experience. -- -- Gonzalo Gonzalez Abad Atomic and Molecular Physics Division Harvard-Smithsonian Center for Astrophysics 60 Garden Street, MS 50, Cambridge, MA 02138 Phone: 617-496-7938 Email: ggonzalezabad(a)cfa.harvard.edu _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list

11 years, 7 months

[Aspuru-Guzik group list] Fwd: [Hptc-users-list] Workshops on Parallel Computing and efficient use of Odyssey cluster

by Alan Aspuru-Guzik

Dear group members, I recommend to attend some of these workshops if you want to learn a bit about HPC, Alan Alán Aspuru-Guzik | Associate Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu | http://about.me/aspuru ---------- Forwarded message ---------- From: FAS Research Computing Users Group <hptc-users-list(a)lists.fas.harvard.edu> Date: Thu, Sep 13, 2012 at 4:26 PM Subject: [Hptc-users-list] Workshops on Parallel Computing and efficient use of Odyssey cluster To: "hptc-users-list(a)lists.fas.harvard.edu" <hptc-users-list(a)lists.fas.harvard.edu> Dear Odyssey user, Greetings from Research Computing. We plan to organize a series of workshops on Parallel Computing and related topics. The major goal is to help you with your calculations by teaching the basics of Parallel Computing and providing relevant information about the available computational resources, and the best practices for efficient use of the Odyssey cluster. Below is a tentative list of topics we plan to cover Message Passing Interface (MPI) in Fortran and C/C++ Open Multiprocessing (OpenMP) in Fortran and C/C++ General-purpose Computing on Graphics Processing Units (GPGPU) Profiling, Debugging, and Optimization of Parallel Applications Parallel Computing with Matlab Best practices for efficient use of the Odyssey cluster Please let us know of other topics you may be interested in at plamenkrastev(a)fas.harvard.edu. Tentatively, we plan to start the workshops in October, depending on interest. Best regards, --- Dr. Plamen G Krastev Harvard University Research Computing Faculty of Arts and Sciences Division of Science 38 Oxford Street, Room 204 Cambridge, MA 02138, USA Phone: +1 (617) 496-0968 Email: plamenkrastev(a)fas.harvard.edu _______________________________________________ Hptc-users-list mailing list Hptc-users-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/hptc-users-list

11 years, 7 months

[Aspuru-Guzik group list] missing yoga mat

by Stéphanie Valleau

Hi everyone, I had left a black yoga mat contained in a blue and black yoga bag under my desk before I left about a month ago - it looks like this: [image: YogaDirect Nylon Yoga Mat Bag] It seems to be gone now :(. I'm wondering if anyone may have seen it or moved it somewhere else?? Maybe people who where squatting at my desk .. ? Thanks for your help, Stephanie

11 years, 7 months

[Aspuru-Guzik group list] [Aspuru-meetings-list] group meeting this Friday!

by Ryan Babbush

Hi Everyone, Now that Alan has finished his tenure talk we'll be returning to our weekly group meeting schedule. Alan will be out of town this Friday but one of our G1 rotators, Thomas Markovich will be presenting on research he did as an undergraduate. We will be meeting at the usual time and place (Mallinkrodt Division Room 2pm on Friday). By later tonight, the group calendar will accurately reflect the future group meeting schedule through October. Thomas' abstract is provided below. I present a new approach to bound state problems in quantum mechanics using our N-dimensional generalization of Supersymmetric Quantum Mechanics. In the case of N distinguishable particles in three dimensions this results in a vector superpotential with 3N orthogonal components. The original scalar Schr\"odinger operator can be factored using vector "charge" operators: Q1 and Q1^+. Using these operators, we can write the original (scalar) Hamiltonian as H1 = Q1^+ Q1 + E1. The second sector Hamiltonian is a tensor given by H2 = Q1 Q1^+ + E1 and is isospectral with H1. The vector ground-state of sector two can be used with the charge operator Q1^+ to obtain the excited state wave functions of the first sector. I will show various numerical results we have obtained with our formalism. -- Ryan Babbush | PhD Student in Chemistry (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Research Group 12 Oxford Street, Box 400 | Cambridge, MA 02138 _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list

11 years, 7 months

[Aspuru-Guzik group list] HQOC/ITAMP Joint Quantum Sciences Seminar - Prof. Mark Brongersma

by Joan Hamilton

HQOC/ITAMP Joint Quantum Sciences Seminar Wednesday, September 19th, 4:00 PM, J250 Guest Presenter: Prof. Mark Brongersma, Stanford University "Electrically Driven Plasmonic Nanocircuits" Abstract: The laser has long been established as the best possible optical source for fundamental studies and applications requiring high field intensity, single-mode operation, a high degree of coherence, a narrow linewidth and short pulses. This notion is worth reanalyzing for chipscale optoelectronic systems that impose severe constraints on the power efficiency and footprint of optical sources. Recent work has demonstrated the exciting possibility to shrink lasers to nanoscale dimensions with the use of metals. Unfortunately, smaller cavities tend to exhibit increased optical losses that make the realization of power-efficient, electrically-pumped nanolasers at room temperature extremely challenging. I will describe experimental realizations of electrically-driven, metal-clad nano-light-emitting-diodes that offer a practical alternative to chipscale nanolasers by exploiting the Purcell effect to facilitate efficient emission into a single mode waveguide with a cross-sectional area of 0.016?^2 and to allow for fast optical modulation. With this source, electrically-driven subwavelength optical nano-circuits for routing, splitting, free-space coupling, and directional coupling can be realized. I will discuss the basic physics and engineering challenges in realizing these circuits and discuss our first results. Student Presenter: Tsung-Li Liu, Hu Lab "Deterministically Defined Plasmonic Nanocavities" -- Joan Hamilton Faculty Assistant to Profs. Lukin and Greiner HQOC Administrative Coordinator Harvard University Department of Physics 17 Oxford Street Cambridge, Ma 02138 Phone 617-496-2544 HUCTW Local Representative for the Department of Physics

11 years, 7 months

[Aspuru-Guzik group list] [qip] meeting Friday

by Edward Farhi

Hi Quanta We will meet this Friday at 11:00 in 6-310 as usual. Adam Bookatz will tell us about his work with Pawel. See you there, Eddie ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology 6-300 Cambridge MA 02139 617 253 4871 ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

11 years, 7 months

[Aspuru-Guzik group list] Fwd: ChemAxon UGM Wellesley, MA, 2012

by Alan Aspuru-Guzik

Maybe of interest to our chemoinformatics folks! Alan > *From:* ChemAxon <jfejervari(a)chemaxon.com> > *Date:* September 11, 2012 10:10 AM > *To:* alan(a)aspuru.com > *Subject:* ChemAxon UGM Wellesley, MA, 2012 > ChemAxon US UGM > <http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> > > /Dear ChemAxon User, > We invite you to our fifth User Group Meeting > <http://chemaxon.us4.list-manage2.com/track/click?u=367e81e89570b31a401d1b03…> > in the US on 25th and 26th of September, at the Babson Executive > Conference Center > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> > in Wellesley, MA. Please register here > <http://chemaxon.us4.list-manage2.com/track/click?u=367e81e89570b31a401d1b03…>! > > We are announcing some minor changes to our UGM program > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…>; > and we'd also like to draw your attention to some of the Satellite > Meetings for the event: Registration of Biologics > <http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> > & SharePoint Sessions > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> > (Sept 24th) and our Training for Developers > <http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> > and End Users > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> > (Sept 27). > > If you cannot make it but would like to sample the scene, let us > know and we can arrange to join us for a specific session or at > the UGM social events. / > > /See you soon > - UGM Organizers/ > > > 1. New Presentation Added > > Here you'll find the complete (and final) program of the UGM > <http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…>- > so far this looks like *the best UGM program* we ever had. Amongst > others we'll have speakers from Bristol-Myers Squibb, Takeda, > Novartis, Boehringer Ingelheim, The Dow Company, GlaxoSmithKline, Eli > Lilly, NIH, Wiley, Pearson Education and the Broad Institute on stage. > Please scroll to the bottom for a complete list of user presentations. > We added the presentation of Julian Fowler of *Constellation > Pharmaceuticals* to the main program. He'll give a perspective on the > usage of ChemAxon's Standardizer and Structure Checker in enabling > collaboration. > > > 2. New: One to Many Sessions > > We extend the *One to One* session across the afternoon of Monday 24th > and introduce a new *One to Many* thread which will focus on > discussion on specific topics of interest to attendees. > > > - Registration of Biologics Session > > *From 1.30 pm* we will have a Registration of Biologics > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> > discussion on registration challenges and related use cases from both > a biology and IT infrastructure perspective. > > > - SharePoint Session > > *From 3 pm*, we'll have a dedicated SharePoint > <http://chemaxon.us4.list-manage1.com/track/click?u=367e81e89570b31a401d1b03…> > discussion on experiences, challenges and directions for JChem for > SharePoint. > > > - One to One Session > > *From 1pm through the afternoon*, users can meet with ChemAxon staff > individually to discuss scientific, technical or business issues. > > > 3. Training Day > > Following the UGM on September 27th, from 9 am till 5.30 pm we'll have > two training tracks running. > > The Application Focus Training > <http://chemaxon.us4.list-manage2.com/track/click?u=367e81e89570b31a401d1b03…> > is designed mainly *for end users (chemists and biologists) *and those > new to ChemAxon to get a handle on basic functionality and how to get > up to speed quickly. > > The Developer Training > <http://chemaxon.us4.list-manage.com/track/click?u=367e81e89570b31a401d1b039…> > gives chance to get a detailed insight into our toolkits with talks > covering both introductory and advanced subjects. Technology > overviews, real life use cases, code examples and a *hands on coding > workshop* provides everything necessary to start building and > integrating across various cheminformatics applications. > > > 5. Meet our Partners at the UGM > > ChemAxon's solution provider partners build on our cheminformatics > toolkits. You will have the opportunity to learn more about them *in > the refreshment breaks* of the UGM, and during the dedicated *Partner > Session on September 25th from 2 pm*. > > List of ChemAxon partners present: Acelot, Arxspan, Ceiba, DeltaSoft, > Digital Science, GVK Bio, IBM, IDBS, John McNeil, KNIME, Linguamatics, > Patcore, Pearson Education, Schrödinger, SciQuest, Thomson Reuters and > Wiley. > > > 6. List of User Presentations > > 1. Chemistry Infrastructure Migration in Global Pharmaceutical > Company: Concerns and Reality. > /Zhenbin (Benjamin) Li,*Boehringer Ingelheim*/ > 2. Patent Analytics for Drug Discovery via Instant JChem. > /Dana Vanderwall, *Bristol-Myers Squibb*/ > 3. Future-proofing - managing systems in rapidly changing times. > /Ramesh Durvasula & Alex Drijver,/*/Bristol-Myers Squibb & ChemAxon/* > 4. Development of a Stereochemical Structure-Activity Relationships > Viewer to Analyze HTS Data Generated from DOS Compound Collections. > /Carol Mulrooney,/*/Broad Institute/* > 5. Assisted Data Exploration in Chemical Biology. > /Dennis Moccia, /*/Cognitive Data Works/* > 6. The Lilly Open Innovation Drug Discovery Program. > /Daniel Robertson,/*/Eli Lilly/* > 7. Registration as a service: The full story after half-year.*//* > /Rama Bhamidipati & Ákos Papp,/*/GlaxoSmithKline & ChemAxon/* > 8. Advances in text mining for chemical information: an update on the > ChiKEL project. > /David Milward, Daniel Bonniot, /*/Linguamatics & ChemAxon/* > 9. Cloudy with a touch of Cheminformatics.*//* > /Rajarshi Guha, /*/NIH - NCGI/* > 10. Migrating away from ISIS with ChemAxon's help.*//* > /Debra Kassabian,/*/Novartis/* > 11. An approach to developing a Compound Registration system using > JChem Base and JChem Cartridge. > /Bob Trucchi, /*/Nuova Stella, Inc./* > 12. Pearson Education and ChemAxon: Partnership to develop educational > MarvinSketch. > /Jeanne Zalesky,/*/Pearson Education/* > 13. Sharing chemical data with partners and collaborators using > Standardizer. > /Julian Fowler,/*/Constellation Pharmaceuticals/* > 14. Compound Progression Workflow Process.** > /Matthew Pustelnik,/*/Takeda California/* > 15. Just Another Chemical Query (ChemQ) Tool or Not. > /Matthew Pustelnik,/*/Takeda California/* > 16. Compounds for indications, indications for compounds. > /John Irwin,/*/UCSF/* > 17. Enhancing the User Experience for Wiley Chemistry Content. > /Neil Pearson,/*/Wiley/* > > > You are receiving this mail because you registered on our website. > > Unsubscribe > <http://chemaxon.us4.list-manage1.com/unsubscribe?u=367e81e89570b31a401d1b03…> > alan(a)aspuru.com from this list. > > Our mailing address is: > ChemAxon Ltd > Záhony utca 7. > Budapest, --- 1031 > Hungary > > Add us to your address book > <http://chemaxon.us4.list-manage.com/vcard?u=367e81e89570b31a401d1b039&id=42…> > > Copyright (C) 2012 ChemAxon Ltd All rights reserved. > > Forward > <http://us4.forward-to-friend2.com/forward?u=367e81e89570b31a401d1b039&id=73…> > this email to a friend > Update your profile > <http://chemaxon.us4.list-manage2.com/profile?u=367e81e89570b31a401d1b039&id…> >

11 years, 7 months

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aspuru-list September 2012