aspuru-list July 2016

aspuru-list@lists.fas.harvard.edu

18 participants
43 discussions

[Aspuru-Guzik Group List] Fwd: [Ras-fridays-list] RCR - Responsible Conduct of Research August 2016 Session (8/8, 8/10, 8/12)

by Marlon Cummings

New group members, visitors, please register and attend. -------------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>* ---------- Forwarded message ---------- From: FAS Research Administration Services <research(a)fas.harvard.edu> Date: Mon, Jul 18, 2016 at 12:54 PM Subject: [Ras-fridays-list] RCR - Responsible Conduct of Research August 2016 Session (8/8, 8/10, 8/12) To: ras-fridays-list(a)lists.fas.harvard.edu To the Harvard University Research Community, Registration for the *August Responsible Conduct of Research Course* is *now open*! Available free of charge to any Harvard-affiliated individuals, RCR is a highly recommended “best practices” course for those desiring to deepen their knowledge of ethical research and responsible conduct. RCR (Chemistry 305qc) is a 3-day course with Sat/Unsat grading. The course uses pre-work and interactive discussions to examine basic ethical and regulatory requirements for conducting research. Topics covered include: research and professional conduct; responsible authorship and publication; mentor-mentee relationships; conflicts of interest; peer review; grant writing and budgeting; intellectual property; data acquisition and management; ownership of data and biological samples; and research involving human and animal subjects. A certificate will be issued to all participants upon successful course completion. *August 8th, 10th, 12th, 9:00am-12:00pm* in *Rm. B103 in the Northwest Science Building* (located at 52 Oxford St. Cambridge, MA.) Registration is required. *Registration*: register <https://urldefense.proofpoint.com/v2/url?u=https-3A__harvard.az1.qualtrics.…> *RCR Course Webpage:* http://projects.iq.harvard.edu/ras-rcr *NIH and NSF-Specific RCR Requirements:* http://research.fas.harvard.edu/responsible-conduct-research-course#agencyg… <https://urldefense.proofpoint.com/v2/url?u=https-3A__harvard.az1.qualtrics.…> _______________________________________________ RAS-Fridays-list mailing list RAS-Fridays-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/ras-fridays-list

7 years, 9 months

[Aspuru-Guzik Group List] Fwd: Seeking Senior Lecturers in Computational and Data Science at Harvard University

by Alan Aspuru-Guzik

---------- Forwarded message ---------- From: *Chute, Catherine A.* <cathy_chute(a)harvard.edu> Date: Monday, July 18, 2016 Subject: Seeking Senior Lecturers in Computational and Data Science at Harvard University To: "Chute, Catherine A." <cathy_chute(a)harvard.edu> Cc: Hanspeter Pfister <pfister(a)g.harvard.edu> Dear IACS Advisory Board member, The Institute for Applied Computational Science (IACS) at the Harvard John A. Paulson School of Engineering and Applied Sciences (SEAS) is actively recruiting new Senior Lecturers of Computational Science and Data Science. Candidates with demonstrated excellence in teaching and a background in computational science, including the fields of Computer Science, Applied Math or Statistics are urged to apply. The full posting is listed below and is also available at:http://academicpositions.harvard.edu/postings/7028 <https://urldefense.proofpoint.com/v2/url?u=http-3A__r20.rs6.net_tn.jsp-3Ft-…> . This is an exciting opportunity to become a key member of the group leading the growth and development of computational science and data science education at Harvard University. I encourage you to forward this to anyone you believe may be interested in applying. Best regards, Cathy Chute Executive Director Institute for Applied Computational Science Harvard John A. Paulson School of Engineering and Applied Sciences 52 Oxford Street Cambridge MA 02138 iacs.seas.harvard.edu ****** Senior Lecturer of Computational Science and Data Science Institute for Applied Computational Science, Harvard John A. Paulson School of Engineering and Applied Sciences The Harvard John A. Paulson School of Engineering and Applied Sciences (SEAS) seeks outstanding applicants for the position of Senior Lecturer in Computational Science and Data Science in the Institute for Applied Computational Science (IACS), with an expected start date of January 1, 2017. The position is for five years and is renewable contingent upon performance, enrollments, and curricular need. The Senior Lecturer will have teaching responsibility for three computational or data science courses per year. In addition, the Senior Lecturer will assist in the development and implementation of the Institute's curricular vision through collaboration with faculty partners in Computer Science, Applied Mathematics and Statistics, as well as other areas and institutes across Harvard. The Senior Lecturer will be a member of the IACS team and have an opportunity to shape Harvard University's vision for education and research in the strategically important areas of computational and data science. Home to a master's program in computational science and engineering, IACS is a key member of the group leading the growth and development of computational science and data science education at Harvard University. *Duties and Responsibilities*: *Teaching*: teach or co-teach three graduate-level courses per year with a focus on interdisciplinary collaboration that allows students to develop problem-solving skills in computational science and data science. *Curriculum development:* assist the Institute for Applied Computational Science in the continuing assessment and improvement of the Institute's curriculum in order to stay abreast of the latest developments in computational science and engineering, in particular with respect to the emerging field of data science; assist in development of computational content for existing courses across SEAS, and develop new courses as needed with a focus on hands-on, project-based classes that allow students to work collaboratively. *Student advising*: serve as an intellectual mentor and advisor to students; advise master's students in their development of independent study projects and theses, develop proposals for integrated graduate training and faculty activities that provide research experiences and thesis projects for students, serve on admissions committee for master's programs; review and approve student final exams and project presentations. *Programmatic*: contribute to the Institute's extracurricular program of conferences, student competitions, open houses and workshops, advising sessions, special events, and co-curricular research and academic visits, with a goal of building community, skill and knowledge in computational and data science at Harvard. *Research*: conduct independent and collaborative research. Participate in the scientific and research communities in your discipline. Candidates are required to have a doctoral degree in Computer Science, Applied Mathematics, Statistics or another field of science or engineering, as well as programming skills in some programming language. In addition, we seek candidates with a record of teaching at the graduate level and experience developing courses in computational science and engineering or data science. Broad knowledge in the computational methods and approaches required for modeling, exploration and analysis of data, documented through scientific publications, or patents and projects executed in an industrial setting is a benefit. Candidates with documented ability to mentor graduate students, excellent communication, writing, and presentation skills and a strong commitment to education and mentoring are preferred. Required documents include a cover letter, CV, a one-page statement of teaching philosophy and interests, and course evaluations for all recently taught courses. Candidates are also required to submit the names and contact information for three references. We encourage candidates to apply by September 1, 2016, but will continue to review applications until the position is filled. Applicants will apply online at: http://academicpositions.harvard.edu/postings/7028 <https://urldefense.proofpoint.com/v2/url?u=http-3A__r20.rs6.net_tn.jsp-3Ft-…> Harvard is an equal opportunity employer and all qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability status, protected veteran status, or any other characteristic protected by law. -- 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

7 years, 9 months

[Aspuru-Guzik Group List] Machine Learning Subgroup by Miguel @ 2pm

by Jennifer Wei

Hi everyone, Today we are very excited to have Miguel give us a talk for the Machine Learning subgroup. Miguel is a postdoc from the Ryan Adams group and soon-to-be professor at the University of Cambridge. Below is a copy of his abstract. We will meet at 2pm in New Siberia. See you there! - Ben and Jennifer ------------------------------------------------------------ Many optimization problems in engineering require trading off multiple objective functions that can only be evaluated through expensive calls to a black-box. Bayesian optimization (BO) methods can solve these problems efficiently by performing less function evaluations than other alternative approaches. To achieve this, BO methods combine 1) efficient data collection strategies with 2) flexible probabilistic models and 3) accurate methods for approximate inference. In this talk I will describe my most recent work in some of these areas. First, I will present new data collection strategies based on information theory. Unlike previous methods, these strategies can make optimal decisions regarding the independent evaluation of different black-box objectives at different locations. I will illustrate the effectiveness of these methods in several optimization problems, including the design of optimal hardware accelerators for neural networks. In the second part of the talk I will focus on using BO to speed up the discovery of optimal molecules. To efficiently solve this problem we have to perform approximate inference in very complicated models such as deep neural networks. For this purpose, I will present "Black-box alpha", a new method for deterministic inference that can be applied to such complex models with very little effort. Black-box alpha generalizes previous methods for deterministic inference (variational Bayes and expectation propagation) and can interpolate between them by tuning a single parameter. This allows us to achieve excellent results when making probabilistic predictions on molecule data with deep neural networks.

7 years, 9 months

[Aspuru-Guzik Group List] Condensed Matter Theory Seminar: Tues.July 19, noon

by Catherine M Bourgeois

Condensed Matter Theory Seminar "Photoluminescence: An optical heat pump for harvesting thermal losses in photovoltaics" Carmel Rotschild, Technion: Israel Institute of Technology 12:00pm Tuesday, July 19, 2016 Duboc Room (4-331) Abstract: The Shockley-Queisser efficiency limit of 40% for single-junction photovoltaic cells is primarily caused by heat dissipation during energetic-photon absorption. Solar-thermo-photovoltaics attempt to harvest this heat loss, but their practical realization is challenging due to the high operating temperatures involved (i.e., above 2000 K). Conversely, we recently demonstrated how thermally enhanced photoluminescence (TEPL) is an efficient optical heat pump operating in comparably low temperatures. The physical mechanism involves is as follows: In contrast to thermal emission, when temperature rises the photon-rate in photoluminescence is conserved while the spectrum is blue- shifted. This allows harvesting heat losses with minimal generation of entropy. In this talk I will present our theoretical and experimental study on a TEPL solar energy converter in which solar radiation is impinging a low bandgap photoluminescent absorber that emits TEPL toward a high bandgap photovoltaic cell. We show record efficiency at comparably low temperatures. Relevant publications: *Manor A, et al., Optica, 2, 6, 585 (2015) *Granot D., et al., ACS Photonics, 2016, 3 (2) *Rotschild C., Roadmap on the Optical Energy Conversion, IOP science, journal of optics (accepted) Dr. Carmel Rotschild is Assistant Professor at the Technion: Israel Institute of Technology, head of the lab for Excitonics at the Mechanical Engineering department, and head of the Optical Engineering course of study. He received his BSc in Optical Engineering (Mechanical Engineering) at the Technion. He did hid PhD in Physics exploring nonlinear optics at the Technion, and post-doctoral at MIT studying luminescence solar concentrators. Dr. Rotschild won few distinguished awards, among them Fulbright-fellowship, Alon-fellowship, Bikura-fellowship, and Adams-fellowship. Dr. Rotschild currently holds ERC-starting grant for developing new thermodynamic ideas for solar cells and frequency up-conversion. In addition to this direction his research is focused on nonlinear-optics in small molecules, nanophotonics, organic-electronics and engineering of thermal radiation. Lunch provided

7 years, 9 months

[Aspuru-Guzik Group List] Condensed Matter Theory Seminar: Carmel Rotschild

by Catherine M Bourgeois

7 years, 9 months

[Aspuru-Guzik Group List] Group meeting, Thu July 14, 3:30 PM, Div Room

by Ian Kivlichan

Hi all, Tomorrow we have Hideyuki Miyahara from the University of Tokyo speaking at group meeting. Hideyuki's title and abstract are included below. All the best, Ian ----------------- Speaker: Hideyuki Miyahara Title: Relaxation of the EM Algorithm via Quantum Annealing Abstract: The EM algorithm is a novel numerical method to obtain maximum likelihood estimates and is often used for practical calculations. However, many of maximum likelihood estimation problems are nonconvex, and it is known that the EM algorithm fails to give the optimal estimate by being trapped by local optima. In order to deal with this difficulty, we propose a deterministic quantum annealing EM algorithm by introducing the mathematical mechanism of quantum fluctuations into the conventional EM algorithm because quantum fluctuations induce the tunnel effect and are expected to relax the difficulty of nonconvex optimization problems in the maximum likelihood estimation problems. We show a theorem that guarantees its convergence and give numerical experiments to verify its efficiency. Link: http://arxiv.org/abs/1606.01484

7 years, 9 months

[Aspuru-Guzik Group List] Fwd: Walter Thiel - August 19th Seminar

by Marlon Cummings

Dear group: See below. I've blocked off a 9-10AM slot for the group (members to meet with him outside the Excitonics office). If more slots open up, I will announce. Please hold time to attend his talk at 11AM. Note, the talk announcement will be released next week. Thanks, Marlon. -------------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>* ---------- Forwarded message ---------- From: Marlon Cummings <marloncummings(a)chemistry.harvard.edu> Date: Tue, Jul 12, 2016 at 10:04 AM Subject: Walter Thiel - August 19th Seminar To: Rick_Heller <heller(a)chemistry.harvard.edu>, "Friend, Cynthia" < cfriend(a)seas.harvard.edu>, friend(a)fas.harvard.edu, "Jacobsen, Eric" < jacobsen(a)chemistry.harvard.edu>, "Shakhnovich, Eugene" < shakhnovich(a)chemistry.harvard.edu> Cc: Alan Aspuru-Guzik <alan(a)aspuru.com>, aspuru staff < aspuru.staff(a)gmail.com>, "Schwickrath, Helen" < schwickrath(a)chemistry.harvard.edu> Dear Friends: Alan has organized for Professor Walter Thiel <http://www.kofo.mpg.de/en/research/theoretical-chemistry> to visit the department on August 19, 2016. During his visit a talk is scheduled for 11AM in Pfizer, followed by afternoon meetings with faculty beginning at 2:15PM. Alan suggested that you may be interested in conversing with Prof. Thiel. Enclosed are some available times for the afternoon. Please respond to: aspuru.staff(a)gmail.com with your preference. 2:15 – 2:55: Kaxiras Group Members 3:00 – 3:45: 3:50 – 4:30: 4:30 - 5:10: (Seminar abstract attached). When the schedule is finalized, Siria will send an official announcement advertising the talk to the department as well as the full schedule for the afternoon meetings. I thank you for your time. Do enjoy the rest of the week. Marlon. ---------------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964 <617-496-9964>617-496-9411 <617-496-9411> (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>*

7 years, 9 months

[Aspuru-Guzik Group List] Group lunch Wednesday at BBC

by Jennifer Wei

Hi everyone, This Wednesday we will go out to Boston Burger Company for group lunch. Let's meet in the theory lounge upstairs and walk over together. Please reply me if you are planning to go so I can make a reservation. Thank you! Jennifer

7 years, 9 months

[Aspuru-Guzik Group List] Excitonics at 11 (<30min!)

by Joey Goodknight

Just a reminder in case you're not on the group calendar that those who work in excitonics will be meeting in the war room at 11: you're welcome to join us, though, even if you're just a fan of excitons or those who work on them -Joey

7 years, 9 months

[Aspuru-Guzik Group List] Leaving at 1PM - Thursday, July 14th

by Marlon Cummings

Hi there: Tomorrow I'll be leaving the office at 1PM. Note, Siria is also away this week, so please hold off on requests until I return. Thanks, Marlon. --------------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>*

7 years, 9 months

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aspuru-list July 2016