Monday-Tuesday, June 16-17, 2008
University of Illinois at Urbana-Champaign
Posted June 15, 2008, 10:16am
Q: Do I need to bring sheets and towels?
A: No -- see arrival details at the bottom of this page.
Q: I would like to go to the gym or to the pool on the weekend. Is that possible?
A: To gain entrance to Campus Recreation facilities, you will need to show your workshop participation letter, to demonstrate that you are a guest of the University. Entrance fees are $7-8 per day. Towel rental is $1; you can also bring your own. There are three types of lockers: coin operated, electronic key, and self-brought-locks. Visit the Campus Recreation site for facility hours and locations.
Posted June 11, 2008, 1:15pm:
Q: I'm arriving between 7:45-9:30pm on Sunday night. Is there any possibility to register a little later or catch up with the others?
A: Yes. Registration is very informal -- mostly it's so people can meet a few others before the next morning and get their nametag and wireless username and password. If you don't want to have those things in the evening, you can simply show up at the workshop location Monday morning. If you'd like to join the others, here's what I would advise:
Posted June 10, 2008, 7:19pm:
Applied and computational mathematics and computational mechanics have greatly influenced each other, and the interaction between these fields has been very productive. The interaction between the computational physics, chemistry, and materials science and the applied/computational mathematics community has been much smaller. The organizers believe that a closer interaction between these communities would lead to similar great benefits to both. Therefore, we want to make it easier for computational mathematicians to start working on electronic structure problems.
This workshop aims to bring together people that would like to put together software (e.g. documented scripts to generate test cases), introductory material (reports/documentation), test libraries, and so on, to help researchers with a computational or applied math background (start) making contributions to electronic structure calculations with modest effort. This can take many forms, and the list below should be considered a suggestion rather than a definite plan. Brainstorming and planning how to make the most impact will be part of the preparation and the meeting.
The desired result of the meeting is concrete plans for collaborations to establish software, documentation, test libraries, etc., and for obtaining funding for this effort. It is expected that participants are willing to commit time toward this effort (their own or that of students and postdocs).
The workshop will be held directly prior to 2008 Workshop on Recent Developments in Electronic Structure Methods (ESW2008).
We focus on the following four areas:
In addition, everyone is encouraged to consider how to establish sustainable and effective computations at the petaflop level in each area.
We will have short (~2hr) meetings (presentation, discussion, planning) on each topic and a general planning session at the end.
Before the meeting, session chairs are encouraged to start discussions about topics on the meeting wiki.
Please contact one of the organizers to extend this list.
The workshop takes place in Room 4403 Thomas M. Siebel Center for Computer Science.
Sunday, June 15, 2008 |
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| 8:00am-11:00pm | Check into dorms; check into hotels | |
| 8:00-9:00pm | Welcome (Location: TBA) | |
| Dinner on your own | ||
Monday, June 16, 2008 |
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| 8:30–9:00am | Coffee and Registration | |
| 9:00–9:30am | Introduction, main ideas - Eric de Sturler | |
| Quantum Chemistry | ||
| noon-1:20pm | Lunch (provided) | |
| Density Functional Theory | ||
| 3:30-4:00pm | Break | |
| Markov Chains | ||
| Dinner on your own | ||
Tuesday, June 17, 2008 |
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| 9:30–10:00am | Coffee | |
| Quantum Monte Carlo | ||
| noon-2:00pm | Lunch on your own | |
| Planning: projects, grant proposals, future workshops, organization | ||
| Workshop ends | ||
| 6:00–8:00pm | Welcome Reception for Electronic Structure Workshop -- All Applied Math Workshop participants are welcome to attend. (Location: Alumni Center, Bresee Lounge) |
|
| Dinner on your own | ||
To participate, please contact the workshop chair, Eric de Sturler, sturler@vt.edu.
Please register online.
The Willard airport is 10-15 minutes from campus, and there are buses and taxis that go back and forth. As of May 2008, two airlines fly into Willard: Northwest and American. There are always taxis at the airport when flights arrive, but to get from campus to the airport it's best to call ahead for a taxi to meet you someplace on campus. (There aren't taxis driving around campus as they do in larger cities.) Taxis cost ~$10-15 per person, one way.
The Champaign-Urbana Mass Transit District (MTD) offers the Air Bus #27, which goes from campus to the airport, about once every hour on weekdays. For maps and schedules, visit http://www.cumtd.com/. A sample AirBus schedule is: http://www.cumtd.com/routeschedules/ByRoute.aspx?routeID=27&routegroupID=8
Any stop labelled "Illini Union" is very close to the activities and housing (Sherman Hall). The "Materials Research Lab" stop is in front of the workshop location. One way fare on a MTD bus is $1.
The MTD buses go to and from Illinois Terminal quite often, even later at night. For maps and schedules, visit http://www.cumtd.com. Here's an example schedule, for Sunday evenings (after 8pm) http://www.cumtd.com/routeschedules/ByRoute.aspx?routeID=31&routegroupID=12
Any stop labelled "Illini Union" is very close to the activities and housing (Sherman Hall). The "Materials Research Lab" stop is in front of the workshop location. A bus ride costs $1. You can purchase bus tokens and passes on the bus, from the driver.
Taxicabs serving Champaign:
What about internet access at the dorms?
There are ethernet jacks in the rooms. The blue cables needed for computer access should be in each room (often in a drawer or closet). If the cables are missing, you can contact the front desk. There is also wireless connectivity in the common areas (lounges, lobby, etc.) Please do not plug any routers or bridges into the housing network. The most typical problem for connecting is using the wrong cable or having it plugged in the wrong way. The small end of the blue supplied cables must be in the wall jack. You can also call 4-1111 during the day to try to get help.
Do I need to bring sheets and pillows, etc?
The dorms will have pillow, made bed, blanket, towel, washcloth, and soap. You can request more blankets at the front desk, and exchange towels there, too.
Are there laundry facilities available in the dorms? What are they like?
There are usually laundry facilities in the basement of the building where you are staying. Machines accept quarters, and it costs $1 a wash and $1 per dry. There is a change machine in the room, and the front desk staff can provide change for small bills. We have no laundry soap available in the hall, so participants will have to bring their own or purchase supplies in local stores (desk staff can give directions - and there is a Walgreens drugstore within walking distance.
| Name | Institution | Research interests |
|---|---|---|
| Hamad Alyahyaei | California State University Los Angeles | Electronic structure calculations, DFT, Quantum Monte Carlo |
| Alan Aspuru-Guzik | Harvard University | Electronic structure theory (Quantum Monte Carlo, Correlated Methods, Quantum Computing). Quantum dynamics (Semi-classical, quantum computing). |
| Greg Bauer | NCSA | |
| Michele Benzi | Emory University | Numerical Linear Algebra, Scientific Computing, Markov Chains |
| Andrew Canning | LBNL | Computational Materials Science, Parallel Computing |
| David Ceperley | University of Illinois | |
| James Chelikowsky | University of Texas Austin | Computational physics, materials physics |
| Bryan Clark | University of Illinois | Quantum Monte Carlo |
| Daniel Crawford | Virginia Tech | Ab initio quantum chemistry; coupled cluster theory; reduced-scaling correlation models; chirality and optical activity; interstellar chemistry; excited electronic states; radicals. |
| Eric de Sturler | Virginia Tech | Computational Mathematics, Numerical Linear Algebra, Electronic Structure |
| Miroslav Hodak | NC State | |
| Duane Johnson | UIUC | DFT applied to (dis)ordered materials, defects, correlated atoms, DCA, CPA |
| Paul Kent | Oak Ridge National Laboratory | |
| Jeongnim Kim | University of Illinois Urbana-Champaign | Electronic structure methods and code development |
| Cherung (Roger) Lee | UC Davis | |
| Jing Li | NCSA | Numerical analysis, matrix computations, high performance computing |
| Wenchang Lu | North Carolina State University | Real space DFT method in petascale computer and quantum transport |
| Richard Martin | UIUC | |
| Todd Martinez | UIUC | Quantum chemistry, ab initio molecular dynamics |
| Rick Muller | Sandia National Laboratories | Quantum chemistry, chemical catalysis, quantum computing, sparse linear algebra |
| Heather M Netzloff | Ames Laboratory/Iowa State University | computational chemistry, development of high performance computational code |
| Dmitrij Rappoport | University of California, Irvine | Molecular properties, time-dependent density functional theory, efficient implementation strategies, medium-size and large molecules |
| Andreas Stathopoulos | College of William and Mary | Numerical linear algebra, high performance computing, applications to quantum physics, materials science |
| Abdullah Sultan | Texas A&M U. | MD Viscoelstic surfactant |
| Murilo Tiago | Oak Ridge National Laboratory | |
| Shiwei Zhang | College of William and Mary |
26 rows; Last updated Saturday, November 07, 2009 at 05:41:43 AM
This workshop is sponsored by the National Science Foundation and these organizations at the University of Illinois at Urbana-Champaign:
