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2016 Quantum Monte Carlo Workshop

Schedule

This page last updated June 10, 2016. A  PDF version of this schedule is also available.

The workshop will be held June 6-10, 2016 at the National Center for Supercomputing Applications, Room 1030. The NCSA Building is located on the campus of the University of Illinois at Urbana-Champaign at 1205 W. Clark Street, Urbana, Illinois. Events to be videorecorded and posted later are indicated with a (V).

Talk notes and other electronic files for the workshop will be posted here as they become available. Added 2016-06-08, 9:22pm:  QMC_Workshop_2016.zip includes:

Time Event Location

Sunday, June 5, 2016
4-6pm Registration: test computing setup, pick up name tags, etc. Townsend Lounge, located on the first floor of the Illinois Street Residence Halls, behind the registration desk on the left.
6-7:30pm Optional informal dinner Basil Thai Urbana, 701 S. Gregory St, Urbana, IL 61803. Details: Registration also available. Basil Thai is one block away from ISR.

Monday, June 6, 2016
8-9:00 am Light breakfast, Coffee NCSA Lobby – just in front of Room 1030
9-9:20 am Introduction & Welcome, Announcements (Paul Kent) (v) NCSA Room 1030
9:20-10:45am Lecture:

  • Introduction to Stochastic Methods (David Ceperley) (v)
 NCSA Room 1030
10:45-11am Break NCSA-just in front of Room 1030
11am-12pm Lecture:

  • Variational Monte Carlo & Many-body Wavefunctions (David Ceperley) (v)
 NCSA Room 1030
12:00-1:30 pm Lunch Break Lunch on own. Suggestion: Beckman Institute cafeteria next door to NCSA.
1:30-2pm Lecture:

    • QMCPACK overview (Paul Kent) (v)
 NCSA Room 1030
2-3:15 pm Computer Lab – Introduction to ALCF Systems and Lab Setup (Anouar Benali) NCSA Room 1030
3:15-3:30pm Break NCSA Lobby
3:30-5pm Computer Lab – Monte Carlo Statistical Analysis (Anouar Benali with Ye Luo) NCSA Room 1030
5:30 Depart for walk to the picnic
5:45-7:30pm Picnic at Large Pavilion Crystal Lake Park Crystal Lake Park is located at 206 W Park St, Urbana, IL 61801. It is about 18 minutes walk from NCSA (2.1 km/1.3 miles)

Tuesday, June 7, 2016
8-9am Light breakfast, coffee NCSA Lobby – just in front of Room 1030
9-10:45am Lecture:

  • Diffusion Monte Carlo (David Ceperley) (v)
 NCSA Room 1030
10:45-11am Coffee Break NCSA Lobby – just in front of Room 1030
11am-12pm Lecture:

  • Wave-Function Optimization Method (Miguel A. Morales) (v)
 NCSA Room 1030
12-1:30pm Lunch break Lunch on own. Suggestion: Beckman Institute cafeteria next door to NCSA.
1:30-3:00 pm Computer lab

  • QMC Basics (Jaron Krogel with Ray Clay)
 NCSA Room 1030
3-4pm Poster session and Coffee Break NCSA Lobby
4-5pm Computer lab continues NCSA Room 1030
5:15pm Dinner on own or informal groups

Wednesday, June 8, 2016
8-9:00am Light breakfast, coffee NCSA Lobby – just in front of Room 1030
9-10:45am Lecture:

  • QMCPACK Calculations on Molecules (Miguel M. Morales) (v)
 NCSA Room 1030
10:45-11am Break NCSA Lobby – just in front of Room 1030
11am-12pm Lecture:

  • Advanced wavefunctions (Miguel M. Morales) (v)
 NCSA Room 1030
12-1:30pm Working lunch groups Pick up lunch in NCSA Lobby, just in front of Room 1030
1:30-3pm Computer lab

  • Advanced Molecular Calculations (Norm Tubman with Paul Yang)
 NCSA Room 1030
3-3:15 pm Coffee break NCSA Lobby – just in front of Room 1030
3:15-4:30pm Computer lab continues NCSA Room 1030
4:30pm – 5:15pm Invited Talk: Jeongnim Kim (Intel corporation)  NCSA Room 1030
5pm+ Dinner on own / Informal groups

Thursday, June 9, 2016
8-9:00am Light breakfast, coffee NCSA Lobby – just in front of Room 1030
9-10:45am Lecture:

  • QMCPACK Calculations on Solids (Luke Shulenburger) (v)
 NCSA Room 1030
10:45-11am Break NCSA Lobby – just in front of Room 1030
11am-12pm Lecture:

  • QMC for liquids and gases (Luke Shulenburger) (v)
 NCSA Room 1030
12-1:30pm Lunch on own
1:30-3pm Computer lab

  • Condensed Matter Calculations (Luke Shulenburger with Hyeondeok Shin)
 NCSA Room 1030
3-3:15pm Break NCSA Lobby – just in front of Room 1030
3:15-5pm Computer lab continues NCSA Room 1030
5:15pm Optional self-guided tour of Blue Waters Supercomputer, located at the corner of Oak Street and St. Mary’s Road, in Champaign. Suggestion: take city bus to Blue Waters and iHotel. Bus leaves at 4:49pm from White & Wright (NW Corner) Take “Bus 1 South Yellow direction Savoy” 12 min (13 stops) · Stop ID: MTD455. Bus cost: Free.  Google Maps
5:20 – 5:40pm City buses depart for iHotel Suggestion: Take “Bus 4 Blue direction West” from White & Wright (NW Corner) at 5:26pm. Bus cost: $1. Google Maps.

OR: Take “Bus 1 South Yellow direction Savoy” at 5:28 PM  from White & Wright (NW Corner) Bus cost: Free. Duration: 11 min Google Maps

 OR: Walk to iHotel, 40 minutes (3.6 km/2 miles)
6-7:30pm Banquet at Alma Mater Room, iHotel & Conference Center Alma Mater Room, iHotel & Conference Center,  1900 S 1st St, Champaign, IL 61820
7-7:30pm Invited Speaker: Ed Seidel (NCSA ) Alma Mater Room, iHotel & Conference Center,  1900 S 1st St, Champaign, IL 61820
7:45 – 8:30pm Shuttle service departs from iHotel to ISR iHotel west entrance. Cost: free to QMC participants.

Friday, June 10, 2016
8-9 am Coffee NCSA Lobby – just in front of Room 1030
9-9:30 am Lecture:

  • Transition Metal Oxides with QMC (Paul Kent) (v)
 NCSA Room 1030
9:30 – 10am Lecture:

  • Advanced QMCPACK Capabilities: Orbital optimization and Forces (Raymond Clay) (v)
 NCSA Room 1030
10-10:30am Talk and demo:

    CIPSI: A Simple method to converge many-body wavefunctions (Talk and demo) (Anouar Benali) (v)
10:30-10:50am Break NCSA Lobby – just in front of Room 1030
10:50-11:20am Lecture:

  • Binding in 2D Black Phosphorus from a Many Body Method (Luke Shulenburger) (v)
 NCSA Room 1030
11:20-11:45am Lecture:

  • Phase Stability of TiO2 polymorphs (Ye Luo) (v)
 NCSA Room 1030
11:45am-12:10pm Lecture:

  • Beyond the Born-Oppenheimer approximation with QMC (Norm Tubman) (v)
 NCSA Room 1030
12:10 -1:30pm Lunch break TBA
1:30-5pm Optional interactions, discussions with instructors, computer lab At lunch locations
5pm Dinner on own / informal groups

Lecturers

Lab instructors

Invited speakers