aspuru-list December 2013

aspuru-list@lists.fas.harvard.edu

32 participants
60 discussions

[Aspuru-Guzik group list] Thank You Cynthia!!!

by Marlon Cummings

Hi: I wanted to take a moment to say thanks to Cynthia Chew for her hard work and dedication. Today she ROCKED!!! Ladies and gents, please remember, Cynthia is Alan's quantum right hand -- literally. 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/

10 years, 5 months

[Aspuru-Guzik group list] meet with Roberto, Matteo Cavalleri, Volker Blum, and Mark Lusk in ONE HOUR

by Johannes Hachmann

A gentle reminder that you should come by John Harvard's in an hour if you want to meet with the guys listed above. Cheers, Johannes > -----Original Message----- > From: Johannes Hachmann [mailto:jh@chemistry.harvard.edu] > Sent: Monday, 02 December, 2013 12:34 > To: A-G Group > Subject: meet with Roberto, Matteo > > Hi everybody (in particular the quantum chemists in the group), > > Matteo Cavalleri (http://matteo.cavalleri.eu/) from IJQC and Volker Blum > from Duke (http://www.mems.duke.edu/faculty/volker-blum) are currently > in town for MRS and I'll meet up with them tonight at 6pm at John Harvard's. > Our very own Roberto Olivares is also gonna be there. In case you are > interested in meeting these guys, please shoot me an eMail so that I can > book a bigger table if need be. > > Cheers, > > Johannes > > ----------------------------------------------------------- > Dr. Johannes Hachmann > Research Associate > Harvard University > Department of Chemistry and Chemical Biology > 12 Oxford St, Rm M104A > Cambridge, MA 02138 > ----------------------------------------------------------- > Starting 01/2014: > Assistant Professor > University at Buffalo > The State University of New York > Department of Chemical and Biological Engineering > Center of Excellence in Materials Informatics > Furnas Hall > Buffalo, NY 14260 > http://www.cbe.buffalo.edu/people/full_time/j_hachmann.php > ----------------------------------------------------------- >

10 years, 5 months

Re: [Aspuru-Guzik group list] Prof. Fred Manby visit December 3 - Early warning

by Johannes Hachmann

Hi everybody, We have a group slot with Fred tomorrow from 4:30pm to 6pm in the meeting area in front of Alan's office. I hope many of you will come. Fred is one of the most creative quantum chemists around and an awfully nice person. Don't miss out on this excellent opportunity to chat to one of the foremost scientists in theoretical chemistry! Cheers, Johannes > -----Original Message----- > From: Johannes Hachmann [mailto:jh@chemistry.harvard.edu] > Sent: Wednesday, 20 November, 2013 17:58 > To: A-G Group > Subject: Prof. Fred Manby visit December 3 - Early warning > > Hi everybody, > > Prof. Fred Manby (http://www.chm.bris.ac.uk/pt/manby/ ) from the > University of Bristol (UK) will be visiting the Boston area to give a talk as part > of the shared Harvard/MIT/BU Greater Boston Theoretical Chemistry > Seminar series. The title of his presentation is "Electron correlation in density > functional and coupled cluster theory" (please find his abstract below). Prof. > Manby will be visiting the Harvard campus on Tuesday, December 3 and we > will have a group slot sometimes that day (more details later). As always, you > are strongly encouraged to show up for the group slot and the talk. > > The seminar will be on Wednesday, December 4, 4:00pm at MIT, building 4- > 163. > > Best, > > Johannes > > ----------------------------------------------------------- > > Prof. Fred Manby (University of Bristol): "Electron correlation in density > functional and coupled cluster theory" > http://www.chm.bris.ac.uk/pt/manby/ > > Wednesday, December 4, 4-6pm > MIT Building 4, Room 163 > > Abstract: > Electron correlation is treated very differently in density functional theory > and in wavefunction-based methods like coupled-cluster theory. Here I will > show that there are some interesting points of connection, illustrated first > through a new kind of correlation functional derived from many-body theory > using the Unsöld approximation; and second through an intriguing > modification of coupled-cluster theory that probes one of the most > dogmatically accepted assumptions of electronic structure theory: that one > should never contemplate breaking the Pauli principle. > > Greater Boston Theoretical Chemistry Seminar > > ----------------------------------------------------------- > Dr. Johannes Hachmann > Research Associate > Harvard University > Department of Chemistry and Chemical Biology > 12 Oxford St, Rm M104A > Cambridge, MA 02138 > ----------------------------------------------------------- > Starting 01/2014: > Assistant Professor > University at Buffalo > The State University of New York > Department of Chemical and Biological Engineering > Center of Excellence in Materials Informatics > Furnas Hall > Buffalo, NY 14260 > http://www.cbe.buffalo.edu/people/full_time/j_hachmann.php > -----------------------------------------------------------

10 years, 5 months

[Aspuru-Guzik group list] talk on "Entanglement in a quantum annealing processor", Friday Dec. 6 at MIT

by sarah mostame

Friday, December 6, 1:30pm Massachusetts of Technology Center of Theoretical Physics Cosman seminar room 6c-442 Quantum Information Seminar ``Entanglement in a quantum annealing processor" Mohammad Amin, D-Wave Systems, Inc ------ Sarah Mostame, Ph.D. Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street, Room M104 Cambridge, MA 02138 email: mostame(a)fas.harvard.edu http://aspuru.chem.harvard.edu/sarah-mostame/

10 years, 5 months

[Aspuru-Guzik group list] Requests to Marlon, Cynthia and myself.

by Alan Aspuru-Guzik

Dear group members, Greetings! It has been quite recent that most of you are doing things completely last minute. You cannot expect Cynthia, Marlon and I to drop everything we are doing to send a letter/etc. for you with less than a day notice. I want to reminding you to send requests to us *at least* a week in advance so that we can handle them. This especially goes out to the undergraduate students with graduate applications. 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, 5 months

[Aspuru-Guzik group list] meet with Roberto, Matteo

by Johannes Hachmann

Hi everybody (in particular the quantum chemists in the group), Matteo Cavalleri (http://matteo.cavalleri.eu/) from IJQC and Volker Blum from Duke (http://www.mems.duke.edu/faculty/volker-blum) are currently in town for MRS and I'll meet up with them tonight at 6pm at John Harvard's. Our very own Roberto Olivares is also gonna be there. In case you are interested in meeting these guys, please shoot me an eMail so that I can book a bigger table if need be. Cheers, Johannes ----------------------------------------------------------- Dr. Johannes Hachmann Research Associate Harvard University Department of Chemistry and Chemical Biology 12 Oxford St, Rm M104A Cambridge, MA 02138 ----------------------------------------------------------- Starting 01/2014: Assistant Professor University at Buffalo The State University of New York Department of Chemical and Biological Engineering Center of Excellence in Materials Informatics Furnas Hall Buffalo, NY 14260 http://www.cbe.buffalo.edu/people/full_time/j_hachmann.php -----------------------------------------------------------

10 years, 5 months

[Aspuru-Guzik group list] special group seminar today 2pm in the division room

by Christoph Kreisbeck

Dear group, Today at 2:00pm in the Division Room we will have a special group meeting. Professor Mark T. Lusk from the Colorado School of Mines will be presenting. You can find a title and abstract for his talk below. ============================================================= *Partially Coherent Exciton Transport in Silicon Quantum Dot Mesomaterials* ============================================================= Recent progress in understanding electronic wave functions in condensed matter nanostructures has led to an ability to synthesize isolated, quantum confined building blocks with a variety of tailored optical properties. No matter what optical gap is engineered and how cleverly exciton energy is redistributed, though, novel materials composed of such nanostructures need to also exhibit efficient carrier dynamics. Transport of energy and charge is now the central issue in harnessing the true power of quantum dot materials for solar and many other uses. This is a critical bottleneck in the science because charge and exciton transport tend to proceed via low mobility, incoherent hopping associated with weak electronic coupling and high reorganization energies in these nanostructures. A number of promising strategies seek to improve energy and charge transport between quantum dots by focusing on important properties such as translational symmetry, electronic overlap, matrix encapsulation, and crystalline orientation. Our approach, though, is to consider the entire assembly as a *quantum dot mesomaterial* (QDM), wherein entirely new transport physics may emerge from the complex interactions between components. For instance, the superb exciton harvesting efficiency of photosynthetic complexes is at least partly due to conditions that support an element of coherent character for exciton transport. Here proteins and pigments are exquisitely structured and combined so that they perform a number of integrated functions—e.g. proteins serve to correlate electronic excitations on neighboring pigments, supporting coherence and allowing exciton transport with a degree of wave-like character. We seek to design materials composed of quantum dots in which components may carry out integrated tasks that optimize dynamics ranging from incoherent random walks to coherent transport. An emphasis is placed on the robustness of such transport in the face of geometric uncertainties intrinsic to synthesized systems. The computational facet of our investigation, emphasized in this talk, utilizes an open dissipative system approach, wherein a cumulant expansion strategy is used to approximate the quantum Liouville equation via a hierarchy of density operators. This has been successfully employed to scrutinize partially coherent transport in protein/pigment complexes, but here we focus on silicon quantum dot mesomaterials and use excited state many-body calculations to populate the associated meta-Hamiltonian. After an overview of the mesomaterial perspective, this talk will focus on our computational assessment of the prospects for partially coherent exciton transport through these silicon quantum dot mesomaterials.

10 years, 5 months

[Aspuru-Guzik group list] Excitonic Seminar: Thurs. Dec. 5, 3 pm, 36-428

by Catherine M Bourgeois

Please post and forward to your group(s) - thanks CENTER FOR EXCITONICS SEMINAR SERIES Directing Self-Assembly of Heterogeneous NanoSystems Alfredo Alexander-Katz, Department of Material Science and Engineering, MIT Thursday, Dec 5, 2013, 3PM RLE Haus Conference Room: 36-428 Abstract Directed self-assembly of block copolymers is a route to obtain tailored 2D patterns on the 10nm scale that have a high degree of order. These patterns are promising for applications in multiple areas, including sub 10nm lithography, light harvesting, and organic electronics. In this talk I will present our work on directed self-assembly of diblock copolymers templated by graphoepitaxial methods. In particular, I will show a new technique that we have pioneered for performing inverse self-assembly in which the input is a given target pattern and the algorithm provides an optimal template solutions for such pattern. Experimental results confirming the predictions will be also presented. Afterwards, I will also discuss about how one can then "dope" the system with other materials as could be nanoparticles and organic components and realize well-ordered functional heterogeneous systems. At the end I will present some future challenges and perspectives in this area. Bio Alfredo Alexander-Katz is the Walter Henry Gale Associate Professor of Materials Science and Engineering at MIT. He received his B.S. in Physics from the National Autonomous University of Mexico (UNAM) in 1998 and his Ph.D. in Physics from the University of California at Santa Barbara in 2004. His thesis focused on understanding the self-assembly of copolymers using novel field-theoretical methods. As an NSF International Postdoctoral Fellow, he studied the dynamics of driven polymers that led to an important discovery unraveling the mystery behind the process of blood clotting at high shear rates. This opened new routes for the development of novel shear responsive materials. As a CNRS postdoctoral researcher at Ecole Superieure de Physique et Chimie Industrielle (Paris, France), he studied charged polymer solutions and their self-assembly with direct applications to fuel cells. His current interests lie in the realm of self-assembly and dynamics of biological soft-materials using a combination of analytical theory and simulations. His group is particularly focused in designing novel polymer-like drug delivery carriers and understanding their response to chemical and physical stimuli. They are also working on understanding the supramolecular self-assembly of chlorophyls in the antennas of Photosynthetic Bacteria which are the most efficient light harvesting organisms on Earth, as well as studying the dynamics of driven soft systems in general. This research is highly interdisciplinary, and lies at the interface of materials, biology, physics, chemistry and medicine. Add to calendar [cid:image002.png@01CEEF39.3679F660] Light refreshments will be served. The Center for Excitonics is an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences.

10 years, 5 months

[Aspuru-Guzik group list] Fwd: Rafa's flat-hunt

by Marlon Cummings

Dear Friends: Lets see if we can give Rafa a hand. See below. ------------------ 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: Rafa Gómez Bombarelli <cortomaltesvive(a)gmail.com> Date: Fri, Nov 29, 2013 at 8:27 AM Subject: Rafa's flat-hunt To: Marlon Cummings <marloncummings(a)chemistry.harvard.edu> Dear All, I'm Rafa Gomez-Bombarelli. I was around last July for an interview and went out for lunch with some of you guys. (You may remember me from such films as...) In mid January I am moving to Boston to join you at the Aspuru group and work in the Samsung project, so now I am going through the looking-for-a-place-from-afar phase. Any advice would be welcome. Specifically, I was wondering if perhaps someone would know of something available, either a) a room in a shared flat for the first few weeks AND/OR b) an affordable little studio for the longer term - if that's even possible. I look forward to working with you guys and hopefully join whatever world-domination game is running at the moment. All the best

10 years, 5 months

[Aspuru-Guzik group list] looking for our Q-Chem expert

by Christoph Kreisbeck

Dear Group, tomorrow Mark Lusk from the Colorado School of Mines in Golden is visiting our group. He was asking if someone in our group is a specialist in Q-Chem. Is anyone of you who willing to volunteer and share his/her Q-Chem experience with Mark tomorrow? Thanks! Christoph

10 years, 5 months

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aspuru-list December 2013