aspuru-list September 2014

aspuru-list@lists.fas.harvard.edu

28 participants
73 discussions

[Aspuru-Guzik group list] Ryan's Chair - I'm serious!

by Marlon Cummings

Hi: I need Ryan's chair returned by 3PM this afternoon. Marlon. -------------- Marlon G. Cummings Lab Manager, Aspuru-Guzik Group Mallinckrodt M112 Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617-496-9964 617-496-9411 (fax) http://aspuru.chem.harvard.edu/

9 years, 7 months

[Aspuru-Guzik group list] [IACS-events] IACS Seminar with Mauricio Santillana (Harvard SEAS & HMS)--- FRIDAY 9/12

by Baker, Natasha

Date: Friday, September 12, 2014 Location: Maxwell-Dworkin G115, 33 Oxford Street, Cambridge, MA 02138 Speaker: Mauricio Santillana, Lecturer in Applied Mathematics at the Harvard SEAS & Instructor at the Harvard Medical School Time: Informal lunch with speaker, 12:30pm. Talk, 1:00pm Title: Using Big Data in Epidemiology for Digital Disease Detection: Lessons Learned and New Directions gCal <https://www.google.com/calendar/render?cid=http://www.seas.harvard.edu/cale…> iCal<webcal://www.seas.harvard.edu/calendar/event/77946/feed.icshttp://> Abstract: Preventing outbreaks of communicable diseases is one of the top priorities of public health officials from all over the world. Although traditional clinical methods to track the incidence of diseases are essential to prevent outbreaks, they frequently take weeks to spot critical epidemiological events. This is mainly due to the multiple clinical steps needed to confirm the appearance and incidence of diseases. Recently, the real time analysis of big data sets such as search queries from Google, posts from Facebook, tweets from Twitter, and article views from Wikipedia, has allowed researchers to identify epidemic events in multiple communities, giving rise to the creation of internet-based public health surveillance tools. These new tools often provide timely epidemiological information to public health decision makers up to two or three weeks ahead of traditional reports. In my talk I will discuss the importance of robust mathematical methods in digital disease detection. I will discuss some of the disappointments of big data in public health and the new methodological improvements we have proposed to fix them, specifically regarding previous weaknesses in digital disease sentinels such as Google Flu Trends. I will give an overview of the use of multiple big datasets to detect, track, and model disease outbreaks across the globe. Speaker bio: Mauricio Santillana is a lecturer in applied mathematics at the Harvard School of Engineering and Applied Sciences and an instructor at the Harvard Medical School. He is also a scientific research associate at the Boston Children’s Hospital Informatics Group. Santillana is a physicist and applied mathematician with expertise in scientific computing. His research in numerical analysis and computational fluid dynamics has been used to model floods due to hurricanes and to improve the performance of global atmospheric chemistry models. In recent years, his main interest has been to develop mathematical models to predict disease incidence using big data sets such as Google search queries, clinician’s databases, participatory digital disease surveillance systems, mobile phone data, and the output of global and regional climate models. Santillana completed his undergraduate studies in physics at the National Autonomous University of Mexico and his PhD in computational and applied mathematics from the University of Texas at Austin. Santillana first joined Harvard as an Environmental Fellow at the Harvard Center for the Environment. *********************** UPCOMING SEMINARS 9/19 Chris Rycroft (Harvard SEAS) on High-throughput screening of crystalline porous materials 10/3 TBA 10/10 D.E. Shaw 10/17 Ashish Mahabal (Caltech) 10/31 Chris Miller (Brandeis & HHMI) 11/14 Bill Henshaw (Rensselaer Polytechnic Institute) 11/21 TBA Please visit http://iacs.seas.harvard.edu/events to subscribe to our Google calendar, manage your subscription to this mailing list, or access video and audio recordings of previous seminars. _______________________________________________ Iacs-events mailing list Iacs-events(a)seas.harvard.edu https://lists.seas.harvard.edu/mailman/listinfo/iacs-events

9 years, 7 months

[Aspuru-Guzik group list] [theochem-announce] Theoretical Chemistry seminar by Troy Van Voorhis Wednesday 9/10 at 4 PM!

by Michael Mavros

Dear all, MIT's very own Troy Van Voorhis will be kicking off this year's Theoretical Chemistry Seminar Series this Wednesday, September 10! The seminar will be held from 4-6 PM in *56-114* (note the change of room from where we held this seminar series last spring). The title and abstract of the talk are below. *Electronic Dynamics in Complex Environments: From Electron Transfer to Singlet Fission* Some of the most basic chemical reactions are those that involve primarily the motion of electrons with little rearrangement of the nuclei. Prominent examples include electron transport and excitonic energy transfer as well as more exotic phenomena such as singlet fission. These reactions are the centerpiece of artificial photosynthetic complexes, organic PVs and essentially all of redox chemistry. In treating the dynamics of these reactions, it becomes clear that knowledge of the molecular conformation alone is not sufficient to define a reaction coordinate (since the nuclei may not more appreciably during the course of the reaction). In this talk, we will discuss how the “reactant” and “product” states for these types reactions can be clearly defined using the electron density as the fundamental variable. We will illustrate the utility of this approach using two examples: electron transfer in solution the simulation of singlet fission in organic photovoltaics. -- Michael Mavros Department of Chemistry, Massachusetts Institute of Technology _______________________________________________ theochem-announce mailing list theochem-announce(a)mit.edu http://mailman.mit.edu/mailman/listinfo/theochem-announce

9 years, 7 months

[Aspuru-Guzik group list] coffee in div room, pastries in big office!

by Joey Goodknight

Courtesy of Novartis(I think?)/the front office ladies/my indisputable charm

9 years, 7 months

[Aspuru-Guzik group list] [qip] quantum optimization workshop, October 27-29

by Edward Farhi

Hi Quanta This may be of interest to some of you. Let me know if you want to go. Best, Eddie Fields Institute, Toronto, on October 27-29. Here's the link: http://www.fields.utoronto.ca/programs/scientific/14-15/quantumopt/ "Quantum-inspired technologies have begun to emerge in various areas of Science and Engineering. In the realm of quantum computing, researchers develop algorithms that carry the potential to solve extremely hard computational problems, which are currently intractable by conventional algorithms. Recent advances demonstrated the potential of quantum algorithms in tackling successfully well.known extremely difficult combinatorial problems. We believe the time is ripe to challenge quantum computing researchers with hard discrete and continuous optimization problems, in order to assess the potential speedups that can be achieved with quantum algorithms and to devise new quantum algorithms to tackle such problems. The fundamental mandate of our proposed workshop will be to provide a forum for both scientific presentations and discussion of issues related to what we call quantum optimization. Optimizations researchers will learn about the quantum technology and methodologies and the quantum researchers will learn about hard optimization problems that may yield to quantum optimization approaches." *********************************************** 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

9 years, 8 months

[Aspuru-Guzik group list] Bring a cup for group meeting

by Xavier Andrade

there is some coffee left over in the division room

9 years, 8 months

[Aspuru-Guzik group list] [qip] Friday the Fifth

by Edward Farhi

Hi Quanta We will meet tomorrow, Friday the 5th, at 11:00 in 6-310. We will catch up and make plans. Please also note the iQuISE lunches are on Thursdays at noon. Best, Eddie _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

9 years, 8 months

[Aspuru-Guzik group list] ITAMP lunch seminar- Subir Sachdev (9/5)

by Singh, Swati

Date: Friday, September 5th Time: 12:00-1:30 pm Pizza will be served. Location: Pratt Conference room @ Center for Astrophysics (60 Garden Street) Directions: after entering the lobby of the CfA, go down one floor. There will be signs for Pratt in the lobby, and the floor below. Speaker: Prof. Subir Sachdev, Harvard University Title: The “pseudogap” phase of the high temperature superconductors Abstract: I will review recent experimental advances which have shed light on the long-standing puzzle of the low hole density phase of the cuprate high temperature superconductors. I will also discuss implications for various theoretical proposals.

9 years, 8 months

[Aspuru-Guzik group list] [qip] JG 81st

by Ramis Movassagh

Dear All, Please join me in congratulating *Jeffrey Goldstone *on the occasion of his* 81st birthday!* Jeffrey is a very special man and meeting him has been a very fortunate event in my life as I am sure was for many of you who have interacted with him. If you have published with him, you know how fast he is at noticing the weakest part of a theory and how influential his gold-stone standards are in the end result. Happy birthday Jeffrey and I wish you many more happy and productive years! Ramis _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

9 years, 8 months

[Aspuru-Guzik group list] Fwd: [ PSI-K ] Faculty opening in theoretical chemistry at the University of Rochester

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 ---------- Forwarded message ---------- From: PSI-K <psik-coord(a)dl.ac.uk> Date: Wed, Sep 3, 2014 at 2:46 PM Subject: [ PSI-K ] Faculty opening in theoretical chemistry at the University of Rochester To: PSI-K <psik-coord(a)dl.ac.uk> An announcement has been added in the "PSI-K" site at PSI-K ( http://cselnx9.dl.ac.uk:8080/portal) Subject: Faculty opening in theoretical chemistry at the University of Rochester Category: Job From: Ignacio Franco Date: 03-Sep-2014 19:46 Message: Dear colleagues, The Department of Chemistry at the University of Rochester is conducting a search for a faculty position in theoretical chemistry. The search is primarily for candidates at the junior level, but exceptional senior candidates can also be considered. I am including below a copy of the ad that was sent to C&EN. Please alert suitable potential candidates about this opening. Thanks very much, Ignacio Franco Assistant Professor · Department of Chemistry · University of Rochester ignacio.franco(a)rochester.edu · www.chem.rochester.edu/groups/franco · 585.275.8209 ------------------------------------------------------ UNIVERSITY OF ROCHESTER (NY). The Department of Chemistry invites applications for 1 position in the area of inorganic chemistry, broadly defined, and 1 position in the area of theoretical chemistry, broadly defined. This search is primarily for candidates at the junior level, but exceptional senior candidates can also be considered. Candidates are expected to establish an outstanding program of original research and to be effective teachers at the graduate and undergraduate levels. Application materials are to be submitted online at https://www.rochester.edu/fort/chm/. Materials to be submitted must include a curriculum vitae indicating graduate and postdoctoral advisors, a statement of research plans and a statement of teaching interests. Junior candidates will also enter the names and email addresses of three references. The references will be notified by email with instructions for online submission of letters. The department will solicit letters for senior candidates. Review of complete applications will begin on October 15, 2014. Questions may be sent to facrec(a)chem.rochester.edu. The University of Rochester has a strong commitment to diversity and actively encourages applications from groups underrepresented in higher education. The University is an Equal Opportunity Employer. ---------------------- This automatic notification message was sent by PSI-K ( http://cselnx9.dl.ac.uk:8080/portal) from the PSI-K site. You can modify how you receive notifications at My Workspace > Preferences.

9 years, 8 months

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aspuru-list September 2014