aspuru-list September 2012

aspuru-list@lists.fas.harvard.edu

26 participants
54 discussions

[Aspuru-Guzik group list] Fwd: Tenure Track Faculty Position in Biochemistry Indiana University Bloomington, IN

by Mostame, Sara

Tenure Track Faculty Opening in Biochemistry at Indiana University. Please see attached. The Department of Molecular and Cellular Biochemistry (http://www.indiana.edu/~mcbdept) at Indiana University-Bloomington invites applications for a tenure-track Assistant Professor position. Applicants from all areas of biochemistry will be considered. This position is part of a recent and continuing expansion of biochemistry at IUBloomington that includes a newly constructed multidisciplinary research building that houses biochemistry,chemistry and physics laboratories and instrumentation centers for state-of-the-art NMR, x-ray crystallography andcryo-electron microscopy. The successful candidate will be provided with a competitive startup package andsalary, be expected to develop a vigorous, externally funded research program, and to participate inundergraduate and graduate teaching. Applicants should e-mail a single pdf file containing a curriculum vitae, a statement of research (past, present, andplanned), teaching interests, and representative publications and preprints to: bchem(a)indiana.edu using “MCBFaculty Position” in the subject line or by mail to: Susanne Kindred, Molecular & Cellular Biochemistry Department,Simon Hall 003, Indiana University, Bloomington IN, 47405. Please arrange to have four letters of recommendation alsosent by e-mail to the same address. Review of completed applications will begin November 1 and continue until theposition is filled. Indiana University is an Affirmative Action/Equal Opportunity Employer. Women, minority candidates,and couples are encouraged to apply.

11 years, 7 months

[Aspuru-Guzik group list] Theochem in 2 Hours

by Jarrod McClean

Hi All, Don't forget about this week's Theochem Seminar that starts in just 2 hours! The details are given again below. Also, there are still a few seats remaining for lunch tomorrow if anyone is interested! Greater Boston Theoretical Chemistry Seminar Professor Rigoberto Hernandez Title: Chemical reaction dynamics in complex environments Location: MIT, Building 4 - Room 163 Time: 4:00 PM, Wednesday ( 9/26/12 ) Abstract: In the first hour, we will discuss the fundamentals of reaction rate theory in the gas and liquid phases.Transition state theory has proven to be a powerful tool for describing the leading order terms in reaction rates. At the cutting edge, we and many others are working to increase its accuracy particularly in cases involving much higher dimensionality either in the reacting system, the surrounding solvent or both. Meanwhile, the environments themselves may change over time leading to changes in the response ---as represented by colored friction kernels in a generalized Langevin equation--- or even wholesale changes ---as represented by nonstationarity. Such increasingly complex environments are commonplace in present-day materials and the theory is expanding to include them. In the second hour, we will discuss our recent work characterizing the potential of mean force along a chosen path of a molecular motion. In particular, we have developed adaptive steered molecular dynamics (ASMD) in order to efficiently obtain the potential of mean force along a long-distance path. This relies on the convergence of Jarzynski's equality, which becomes increasingly computationally expensive as the contributing nonequilibrium paths spread father from the initial point. In ASMD, we break up the path into a series of segments, with each having a smaller distance along which to spread. Equally important, we use the information found in the nonequilibrium distribution at the end of each segment to select the initial structures for the subsequent segment. We have found that ASMD converges to the same and correct potential of mean force in the stretching of decaalanine in vacuum using substantially fewer computer cycles and at pulling speeds faster than that required to obtain it reversibly. Decaalanine has also been stretched in an aqueous solvent. The intramolecular hydrogen-bonding in this latter case appears to be entirely different than that seen in the vacuum case, suggesting the importance of including explicit water models at least in the vicinity of the internal hydrogen bonds of the protein.

11 years, 7 months

[Aspuru-Guzik group list] EE Seminar: Nick Fang, MIT

by Joan Hamilton

> >> *From:*Masse, Kathleen >> *Sent:*Monday, September 24, 2012 9:25 AM >> *To:*'ee-seminars(a)eecs.harvard.edu >> <mailto:ee-seminars@eecs.harvard.edu>' (ee-seminars(a)eecs.harvard.edu >> <mailto:ee-seminars@eecs.harvard.edu>) >> *Subject:*Electrical Engineering Seminar 9/28/2012 >> >> Description: Description: hseas-logo** >> >> *Harvard EE Seminar Series* >> 3-4PM Friday, September 28, 2012 >> Maxwell Dworkin G125 >> Refreshments at 2:45 >> ** >> ** >> >> ** >> >> *Electron Induced Near Field Optical Microscopy: Lighting Up Tightly >> Confined Plasmon Modes* >> Nicholas X. Fang >> Massachusetts Institute of Technology >> Plasmon enhanced photon absorption and emission in nanostructures >> plays an important role in many applications such as nanoantennas and >> nanolasers. In this talk, I will discuss our development of optical >> and electron probes for investigation of plasmonic nanostructures. >> In particular, the dark modes with “forbidden” photon transitions in >> subwavelength nanocavities are of great interest, as they promise >> energy conversion with high quantum efficiency. Using a focused >> electron beam spot, we selectively excite plasmons from the >> metallized nanocavities with fine spatial resolution (<20nm) at >> real-time. The measured high resolution spectrum reveals unexpected >> high photon counts associated with signatures of the dark modes, in >> contrast to common wisdom that such dark modes only couple weakly to >> the far field. I will also discuss the potential application of these >> plasmonic devices with ultra-small mode volume and high Purcell factors. >> >> ** >> >> *Speaker*: Nicholas X. Fang joined MIT in 2011 as an associate >> professor in MechE. Prior to MIT, he worked as an assistant professor >> at the University of Illinois Urbana-Champaign. Nick Fang’s areas of >> research look at nanophotonics and 3D nanomanufacturing. His >> research highlight includes first demonstration of optical >> superlensing, ultrasonic metamaterials for imaging and cloaking, as >> well as invention of solid state electrochemical imprint technology >> for sub-20nm patterning. He is a recipient of the ICO prize (2011), >> the NSF CAREER Award (2009), the Society of Manufacturing Engineering >> Outstanding Young Investigator Award (2009); MIT Technology Review >> Magazine’s 35 Young Innovators Award (2008); and the ASME Pi Tau >> Sigma Gold Medal Award (2006). >> >> *Host*: Marko Lončar >> >

11 years, 7 months

[Aspuru-Guzik group list] Lunch with Rigoberto Hernandez and Theochem Seminar

by Jarrod

Hi All, Don't forget that this week there is a second Theochem seminar, tomorrow (Wednesday 9/26) at 4pm at MIT. The full ad is below, but Prof. Hernandez is also coming to visit Harvard on Thursday. If you would like to meet with him, or join us for lunch, let me know! Greater Boston Theoretical Chemistry Seminar Professor Rigoberto Hernandez Title: Chemical reaction dynamics in complex environments Location: MIT, Building 4 - Room 163 Time: 4:00 PM, Wednesday ( 9/26/12 ) Abstract: In the first hour, we will discuss the fundamentals of reaction rate theory in the gas and liquid phases.Transition state theory has proven to be a powerful tool for describing the leading order terms in reaction rates. At the cutting edge, we and many others are working to increase its accuracy particularly in cases involving much higher dimensionality either in the reacting system, the surrounding solvent or both. Meanwhile, the environments themselves may change over time leading to changes in the response ---as represented by colored friction kernels in a generalized Langevin equation--- or even wholesale changes ---as represented by nonstationarity. Such increasingly complex environments are commonplace in present-day materials and the theory is expanding to include them. In the second hour, we will discuss our recent work characterizing the potential of mean force along a chosen path of a molecular motion. In particular, we have developed adaptive steered molecular dynamics (ASMD) in order to efficiently obtain the potential of mean force along a long-distance path. This relies on the convergence of Jarzynski's equality, which becomes increasingly computationally expensive as the contributing nonequilibrium paths spread father from the initial point. In ASMD, we break up the path into a series of segments, with each having a smaller distance along which to spread. Equally important, we use the information found in the nonequilibrium distribution at the end of each segment to select the initial structures for the subsequent segment. We have found that ASMD converges to the same and correct potential of mean force in the stretching of decaalanine in vacuum using substantially fewer computer cycles and at pulling speeds faster than that required to obtain it reversibly. Decaalanine has also been stretched in an aqueous solvent. The intramolecular hydrogen-bonding in this latter case appears to be entirely different than that seen in the vacuum case, suggesting the importance of including explicit water models at least in the vicinity of the internal hydrogen bonds of the protein.

11 years, 7 months

[Aspuru-Guzik group list] lunch with Peter Rossky

by Semion Saikin

Dear Group, On Thursday, Sept 27, I'm hosting Prof. Peter Rossky from U. Texas, Austin http://www.cm.utexas.edu/peter_rossky. We may have some timeslots available to meet with him in person. Please, let me know if you are interested. Another thing, we will have a lunch with him in the faculty club. If want to join it reply to me asap. There is a limited number of spots available. Semion P.S.: for the reasons to meet with the visitors please see Stephanie's email from Sept. 20 -- ******************************************** 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 ********************************************

11 years, 7 months

[Aspuru-Guzik group list] Fwd: ITAMP topical lunch discussion: Thursday September 27 @ 12:00

by Alan Aspuru-Guzik

-- Alan Aspuru-Guzik Associate Professor of Chemistry and Chemical Biology Harvard University http://aspuru.chem.harvard.edu Forwarded message: > From: Mikhail Lemeshko <mikhail.lemeshko(a)gmail.com> > To: itamp-announce(a)cfa.harvard.edu, lukingroup(a)physics.harvard.edu, greinergroup(a)physics.harvard.edu, atom(a)cua.harvard.edu, demlergroup(a)physics.harvard.edu, Nimrod Moiseyev <nimrod(a)techunix.technion.ac.il>, alan(a)aspuru.com, Ronnie Kosloff <ronnie(a)fh.huji.ac.il>, doerte(a)wsu.edu > Date: Tuesday, September 25, 2012, 7:27:34 AM > Subject: ITAMP topical lunch discussion: Thursday September 27 @ 12:00 > > Dear Friends, > > On Thursday, September 27, there will be an ITAMP topical lunch discussion. > > Tea Room (P-226) @ CfA (60 Garden Street) > Time: 12:00-1:30 > As always pizza will be served. > > > Speaker: Prof. Ronnie Kosloff (Hebrew University, Jerusalem) > > Title: Quantum Absorption Refrigerators and the III-law of Thermodynamics > > Please find the abstract attached. > > > > Looking forward to seeing you there, > > Misha Lemeshko and Charles Mathy > > > -- > Dr. Mikhail Lemeshko > Institute for Theoretical Atomic, Molecular, and Optical Physics > Harvard-Smithsonian Center for Astrophysics > 60 Garden Str. MS-14 > 02138 Cambridge, MA > United States > > mlemeshko(a)cfa.harvard.edu > > http://sites.google.com/site/mishalemeshko/ > > Tel. +1 (617) 496-7610 > Fax +1 (617) 496-7668 > >

11 years, 7 months

[Aspuru-Guzik group list] Fwd: food in big fridge

by Anna B. Shin

FYI. Anna B. Shin Laboratory Administrator | Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology | Harvard University 12 Oxford Street | Cambridge, MA 02138 617.496.9964 office | 617.694.9879 cell | 617.496.9411 fax http://aspuru.chem.harvard.edu/<http://?ui=2&ik=e7480c62f0&view=att&th=12eee19970eeefe4&attid=0.0.2&disp=emb&zw> ---------- Forwarded message ---------- From: Adam Cohen <cohen(a)chemistry.harvard.edu> Date: Mon, Sep 24, 2012 at 10:19 PM Subject: food in big fridge To: "Anna B. Shin" <abs.ccb(a)gmail.com> Hi Anna, We have some big aluminum tubs of Thai food left over from our open house in the shared fridge. Can you please let AAG group members know that they should feel free to help themselves? Thanks! Best, Adam -- Adam E. Cohen Depts. of Chemistry and Chemical Biology and of Physics Harvard University 617-496-9466 (office) 646-258-9068 (cell) www.fas.harvard.edu/~aecohen

11 years, 7 months

[Aspuru-Guzik group list] Invitation to group party and Anna's

by Alan Aspuru-Guzik

Dear group members and friends, Please follow the link below to access an invitation to our group party for "being done with the tenure talk" (regardless of the decision!) and because Anna Shin is leaving the group and we want to bid her an awesome farewell. Please RSVP ASAP as we need to order tacos! https://docs.google.com/a/aspuru.com/spreadsheet/viewform?fromEmail=true&fo… <https://docs.google.com/a/aspuru.com/spreadsheet/viewform?fromEmail=true&fo…> Best, Alan

11 years, 7 months

[Aspuru-Guzik group list] Reminder - Theochem seminar - Monday sept 24th - David Manolopoulos

by Stéphanie Valleau

Dear all, this is a reminder for tomorrow's theochem seminar -------------------------------------------------------- The first theochem seminar (http://people.bu.edu/theochem/index.html) of the year is coming up tomorrow Monday sept 24th! Prof. David Manolopoulos from Oxford university will present on * Chemical reaction rates from ring polymer molecular dynamics what:* Theochem seminar by prof. David Manolopoulos ( abstract attached )* when: *Monday september 24th, 4.15-6.15pm *where:* Harvard chemistry department, Pfizer lecture hall* * (A note for future theochem seminars - the regular time and location will be on Wednesdays 4-6pm at MIT - this is an exception) -- Stéphanie Valleau PhD student in Chemical Physics Harvard University CCB, 12 Oxford St. Mailbox 312, Cambridge, MA, USA

11 years, 7 months

[Aspuru-Guzik group list] Fwd: mini course on NHQM

by Alan Aspuru-Guzik

Dear all, This might be very useful to many of you Alan -- Alan Aspuru-Guzik Associate Professor of Chemistry and Chemical Biology Harvard University http://aspuru.chem.harvard.edu Forwarded message: > From: Nimrod Moiseyev <nimrod(a)techunix.technion.ac.il> > To: aspuru(a)chemistry.harvard.edu > Date: Monday, September 24, 2012, 10:39:24 AM > Subject: mini course on NHQM (fwd) > > > > Here please find the attached file > with the time table of my mini course which starts tomorrow > Nimrod > >

11 years, 7 months

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aspuru-list September 2012