aspuru-list April 2014

aspuru-list@lists.fas.harvard.edu

35 participants
87 discussions

[Aspuru-Guzik group list] 4/9/2014 - Federico Capasso - HQOC/ITAMP Joint Quantum Sciences Seminar

by Hamilton, Joan

HQOC/ITAMP Joint Quantum Sciences Seminar Wednesday, April 9, 2014, 4:00 PM, Jefferson 250 Prof. Federico Capasso, School of Engineering and Applied Sciences, Harvard University Flat Optics with Metasurfaces Artificial structuring of metal-dielectric surfaces at the sub-wavelength scale provides great flexibility in designing the wavefront of scattered light and the propagation of surface waves through local control of amplitude, phase and polarization, leading to a rich variety of phenomena and to a new class of photonic components. Student Presentation by J. Balthasar Mueller, Capasso Group Asymmetric surface plasmon polarition emission by a dipole emitter near a metal surface Student Presentation begins at 4:00 PM Refreshments are served between 4:10-4:30 PM Guest Presentation begins at 4:30 PM Joan Hamilton Faculty Assistant to Profs. Greiner and Lukin HQOC Laboratory Administrator HUCTW Local Union Representative Harvard University Department of Physics 17 Oxford Street Cambridge, MA 02138 P: (617) 496-2544 F: (617) 496-2545

10 years

[Aspuru-Guzik group list] Aspuru Group Meeting this Thursday 10th at 2:30 pm in Cabot Division Room

by Felipe Herrera Urbina

Hi everyone, This week Dr. Dmitry Zubarev will tell us about his work on the chemical origins of life during our group meeting talk. Please see the abstract of his talk below. Best, Felipe Herrera ----- *Abstract:* This seminar is an opportunity for me to practice before the annual symposium organized by Simons Collaboration for the Origin of Life. It will be a crossover between the materials from a 10-minute general-audience talk and a poster presentation. Some of them have been discussed at previous seminars and some are new. I will describe the general idea of transforming the search for origin of life into a problem of design and engineering of chemical landscapes. As an implementation of this idea, SocialMol will be introduced. SocialMol is a computational framework that can be used to study parametric models of the chemical space. As an example, I will discuss construction and analysis of a hypothetical landscape of reductive non-enzymatic autocatalytic cycles.

10 years

[Aspuru-Guzik group list] [theochem-announce] TheoChem seminar TODAY 4/9: Todd Martinez of Stanford

by Michael Mavros

Dear all, One last reminder that Prof. Todd Martinez will be giving a TheoChem seminar TODAY 4/9 in room 4-163 from 4-6 PM. The title of his talk will be *Leveraging Machine Learning and Stream Processors for Theoretical Chemistry* Abstract: Novel computational architectures and methodologies are revolutionizing diverse areas ranging from video gaming to advertising and espionage. In this talk, I will discuss how these tools and ideas can be exploited in the context of theoretical and computational chemistry. I will discuss how insights gleaned from recommendation systems (such as those used by Netflix and Amazon) can lead to reduced scaling methods for electronic structure, how the algorithms in electronic structure can be adapted for commodity stream processing architectures such as graphical processing units, and how nonlinear dimensionality reduction methods can be used to extract chemical knowledge from the resulting data. I will discuss some of the details regarding the structure and implementation of these methods. I will also show how these advances can be harnessed to progress from traditional "hypothesis-driven" methods for using electronic structure and first principles molecular dynamics to a "discovery-driven" mode where the computer is tasked with discovering chemical reaction networks. Finally, I will show how these can be combined with force-feedback (haptic) input devices and three-dimensional visualization to create molecular model kits that carry complete information about the underlying electrons. This interactive first principles molecular dynamics method (molecular computer-aided design or mol-CAD) opens the door to novel ways of teaching chemistry and may also be of use in applied chemical research. We hope to see you in attendance! -- 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

10 years

[Aspuru-Guzik group list] [theochem-announce] TheoChem seminar TOMORROW 4/9: Todd Martinez of Stanford

by Michael Mavros

Dear all, Prof. Todd Martinez will be giving a TheoChem seminar tomorrow 4/9 in room 4-163 from 4-6 PM. The title of his talk will be *Leveraging Machine Learning and Stream Processors for Theoretical Chemistry* Abstract: Novel computational architectures and methodologies are revolutionizing diverse areas ranging from video gaming to advertising and espionage. In this talk, I will discuss how these tools and ideas can be exploited in the context of theoretical and computational chemistry. I will discuss how insights gleaned from recommendation systems (such as those used by Netflix and Amazon) can lead to reduced scaling methods for electronic structure, how the algorithms in electronic structure can be adapted for commodity stream processing architectures such as graphical processing units, and how nonlinear dimensionality reduction methods can be used to extract chemical knowledge from the resulting data. I will discuss some of the details regarding the structure and implementation of these methods. I will also show how these advances can be harnessed to progress from traditional "hypothesis-driven" methods for using electronic structure and first principles molecular dynamics to a "discovery-driven" mode where the computer is tasked with discovering chemical reaction networks. Finally, I will show how these can be combined with force-feedback (haptic) input devices and three-dimensional visualization to create molecular model kits that carry complete information about the underlying electrons. This interactive first principles molecular dynamics method (molecular computer-aided design or mol-CAD) opens the door to novel ways of teaching chemistry and may also be of use in applied chemical research. We hope to see you in attendance! -- 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

10 years

[Aspuru-Guzik group list] Seminar at MIT

by Alan Aspuru-Guzik

Dear all, Just FYI for those interested in quantum simulation. I will be talking about our group efforts at MIT Room Grier Room A (34- 401A) tomorrow at 2 PM. Just go if you are interesting in listening or interacting more with the quantum groups at MIT. Feel free to skip, of course. Best, 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

10 years

[Aspuru-Guzik group list] Visit of Todd Martinez 8th April

by Edward Pyzer-Knapp

Hi all. Professor Todd Martinez from Stanford will be visiting the Boston area to give a talk as part of the shared Harvard/MIT/BU theoretical chemistry seminar series.The title of his presentation is Leveraging Machine Learning and Stream Processors for Theoretical Chemistry(please find his abstract below). Please tell me if you are interested in talking with him, since I have a few slots in the afternoon left. I also am looking for people to lunch with him as well (first come first served) (8th April) The seminar is scheduled on the next day, April 9th, at 4:00 PM in room 4-163 (MIT). Ed Pyzer-Knapp ************************************************************************************* Leveraging Machine Learning and Stream Processors for Theoretical Chemistry Todd J. Martínez Department of Chemistry, Stanford University, Stanford, CA 94305 Abstract: Novel computational architectures and methodologies are revolutionizing diverse areas ranging from video gaming to advertising and espionage. In this talk, I will discuss how these tools and ideas can be exploited in the context of theoretical and computational chemistry. I will discuss how insights gleaned from recommendation systems (such as those used by Netflix and Amazon) can lead to reduced scaling methods for electronic structure, how the algorithms in electronic structure can be adapted for commodity stream processing architectures such as graphical processing units, and how nonlinear dimensionality reduction methods can be used to extract chemical knowledge from the resulting data. I will discuss some of the details regarding the structure and implementation of these methods. I will also show how these advances can be harnessed to progress from traditional "hypothesis-driven" methods for using electronic structure and first principles molecular dynamics to a "discovery-driven" mode where the computer is tasked with discovering chemical reaction networks. Finally, I will show how these can be combined with force-feedback (haptic) input devices and three-dimensional visualization to create molecular model kits that carry complete information about the underlying electrons. This interactive first principles molecular dynamics method (molecular computer-aided design or mol-CAD) opens the door to novel ways of teaching chemistry and may also be of use in applied chemical research.

10 years

[Aspuru-Guzik group list] [qip] seminar on Wednesday

by Edward Farhi

Hi Quanta This looks seminar is of interest to us: April 9 2:00 Alán Aspuru-Guzik, Harvard University Quantum Simulation for Chemistry: Algorithms and Early Quantum Experiments Grier Room A, 34-401A Best, 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

10 years

[Aspuru-Guzik group list] [qip] Fwd: Thesis Defense Announcement: Shelby Kimmel on Tuesday, April 15th at 1PM in 6C-442

by aram harrow

FYI ---------- Forwarded message ---------- From: Katie Lewis <fosterk(a)mit.edu> Date: Tue, Apr 8, 2014 at 9:32 AM Subject: Thesis Defense Announcement: Shelby Kimmel on Tuesday, April 15th at 1PM in 6C-442 To: Katie Lewis <fosterk(a)mit.edu> Dear Colleagues, You are cordially invited to attend the following thesis defense. ''Cumulative Effects in Quantum Algorithms and Quantum Process Tomography'' Presented by Shelby Kimmel Date: Tuesday, April 15, 2014 Time: 1:00PM Location: 6C-442 Committee: Prof. Edward Farhi, Prof. Peter Shor, Prof. Isaac Chuang Best of luck to Shelby! Regards, The MIT Physics Graduate Program -------------------------------------------------- Katie Lewis Academic Programs Office, Graduate Assistant Department of Physics 77 Massachusetts Avenue, Building 4-315 Cambridge, MA 02139 USA Telephone: 617.253.4851 Facsimile: 617.258-8319 *--------------------------------------------------* _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years

[Aspuru-Guzik group list] Fwd: [CCB_Staff] FW: Next Lab Oriented Freecycle on Thursday April 24th from 12:00-2:00

by Marlon Cummings

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/ ---------- Forwarded message ---------- From: Schwickrath, Helen <schwickrath(a)chemistry.harvard.edu> Date: Tue, Apr 8, 2014 at 10:00 AM Subject: [CCB_Staff] FW: Next Lab Oriented Freecycle on Thursday April 24th from 12:00-2:00 To: "Schwickrath, Helen" <schwickrath(a)chemistry.harvard.edu> *From:* Bemis, Jamie L [mailto:jamie_bemis@harvard.edu] *Sent:* Tuesday, April 08, 2014 9:35 AM *To:* Aloise, Allen; Schwickrath, Helen *Subject:* RE: Next Lab Oriented Freecycle on Thursday April 24th from 12:00-2:00 Thanks Allen! Helen- can you please pass along the below announcement and the attached flyers to CCB department members? Thank you both for your help! Jamie Dear All, The next lab-oriented freecycle is quickly approaching! This bi-annual supplies swap will take place on Thursday April 24th from 12:00-2:00 in the Sherman-Fairchild courtyard. In preparation for the event, we will be collecting unwanted lab and office supplies from around campus. This is a great opportunity to do a little spring cleaning! This year we're upping the ante by raffling off a breakfast party to the group that donates the most items! Here are some key dates to be aware of: *April 7th-21st:* Emailjamie_bemis(a)harvard.edu to schedule a donation pickup! *April 24th, 12:00-2:00 pm*: Lab Freecycle, Sherman-Fairchild courtyard *April 26th: *Contest winner announced! Thanks! Jamie *From:* Aloise, Allen [mailto:aloise@chemistry.harvard.edu<aloise(a)chemistry.harvard.edu>] *Sent:* Tuesday, April 08, 2014 9:11 AM *To:* Schwickrath, Helen *Cc:* Bemis, Jamie L *Subject:* FW: Next Lab Oriented Freecycle on Thursday April 24th from 12:00-2:00 Hi Jamie, Helen Schwickrath can help you get the word out. Best, Allen --------------------------------------------------------------------- Allen Aloise, Ph.D. Director of Laboratories Co-Director of Graduate Studies Department of Chemistry and Chemical Biology (CCB) Harvard University 12 Oxford St. Cambridge, MA 02138 617-495-4283 (office) 617-496-5618 (fax) aloise(a)chemistry.harvard.edu *From: *<Bemis>, Jamie Bemis <jamie_bemis(a)harvard.edu> *Date: *Monday, April 7, 2014 at 4:46 PM *To: *Allen Aloise <aloise(a)chemistry.harvard.edu> *Subject: *Next Lab Oriented Freecycle on Thursday April 24th from 12:00-2:00 Hi Allen, I hope all is well! We are planning for our next lab-oriented freecycle and I was hoping to spread the word at CCB. Is there someone I can reach out to about circulating an announcement? Thanks! Jamie Dear All, Our next lab-oriented freecycle is quickly approaching! This bi-annual supplies swap will take place on Thursday April 24th from 12:00-2:00 in the Sherman-Fairchild courtyard. In preparation for the event, we will be collecting unwanted lab and office supplies from around campus. This is a great opportunity to do a little spring cleaning! This year we're upping the ante by raffling off a breakfast party to the group that donates the most items! Here are some key dates to be aware of: *April 7th-21st:* Emailjamie_bemis(a)harvard.edu to schedule a donation pickup! *April 24th, 12:00-2:00 pm*: Lab Freecycle, Sherman-Fairchild courtyard *April 26th: *Contest winner announced! Thanks! Jamie _______________________________________________ ccb_staff mailing list ccb_staff(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/ccb_staff

10 years

[Aspuru-Guzik group list] [qip] lunch tomorrow

by aram harrow

Dear quanta, I propose whoever wants to get together meet tomorrow for lunch at noon in the CTP, from which we can go to either food trucks or stata depending on weather. Joining will be Stephanie Wehner, who is visiting here for a few weeks, and Adam Sawicki, who just started as a postdoc here. aram _______________________________________________ qip mailing list qip(a)mit.edu http://mailman.mit.edu/mailman/listinfo/qip

10 years

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aspuru-list April 2014