Tuesday, June 12
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3:00 - 10:00 pm |
DORM CHECK-IN AND REGISTRATION (Wolf Village Building G) |
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5:00 – 7:40 pm |
PARTICIPANT PICKUP AT RALEIGH-DURHAM
INTERNATIONAL AIRPORT APPROXIMATELY AT: |
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6:00 - 9:00 pm |
RECEPTION (Wolf Village) |
Wednesday,
June 13 (All events at McKimmon Center)
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8:30 – 9:00 am |
BREAKFAST BUFFET AND REGISTRATION |
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9:00 - 9:10 am |
WELCOMING REMARKS |
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Session Chair: John Wilkins |
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9:10 - 9:45 am |
B. Lundqvist, Chalmers U., Sweden, "Towards a Density Functional for Sparse Matter" |
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9:45 - 10:20 am |
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10:20 - 10:50 am |
COFFEE BREAK |
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Session Chair:Marco Buongiorno Nardelli |
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10:50 - 11:25 am |
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11:25 – 12:00 pm |
D. Trinkle, U. Illinois Urbana-Champaign, "Material strength from first principles: Electronic structure and the solute/dislocation interaction" |
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12:00 - 12:10 pm |
WELCOME FROM NCSU RESEARCH LEADERSHIP |
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12:10 - 1:10 pm |
LUNCH SERVED |
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Session Chair: Wenchang Lu |
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1:10 - 1:45 pm |
R. Harrison, U. Tennessee/ORNL. "Fast multiresolution methods with guaranteed precision" |
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1:45 - 2:20 pm |
K. Varga, Vanderbilt U. "Quantum transport calculations with source and sink potentials" |
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2:20 - 2:55 pm |
F. Gygi, UC Davis, "Large-scale electronic structure calculations on the BlueGene/L computer" |
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2:55 – 3:25 pm |
COFFEE BREAK |
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Session Chair: Ivo Souza |
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3:25 – 4:00 pm |
A. Mostofi, MIT, "Electronic structure of DNA from maximally-localized Wannier functions" |
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4:00 – 4:35 pm |
M. Hodak, NC State U., "Hybrid DFT/DFT simulation method for biological systems" |
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4:35 – 5:10 pm |
[ DINNER ON YOUR
OWN IN RALEIGH ]
Thursday June 14 (All talks at
McKimmon, poster session and banquet at The State Club)
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8:30 – 9:00 am |
BREAKFAST BUFFET |
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Session Chair: Harold Baranger |
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9:00 - 9:35 am |
R. Cohen, Carnegie Institution, "Quantum Monte Carlo Simulations of high pressure phase transitions in SiO2" |
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9:35 - 10:10 am |
J. Kolorenc, NC State U., "Diffusion Monte Carlo study of phase stability of crystalline FeO" |
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10:10 - 10:40 am |
COFFEE BREAK |
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Session Chair: Natalie Holzwarth |
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10:40 - 11:15 am |
D. Alfe`, University College London, "Absolute rate of thermal desorption from first-principles simulation" |
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11:15 - 11:50 am |
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11:50 - 12:25 pm |
S. Mason, U. Pennsylvania, "First-Principles Extrapolation Procedure for Accurate Chemisorption Energies" |
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12:25 - 1:25 pm |
LUNCH SERVED |
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Session Chair: Mei Yin Chou |
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1:25 – 2:00 pm |
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2:00 - 2:35 pm |
K. Haule, Rutgers U., "Electronic Structure of Strongly Correlated Electron Materials: A Dynamical Mean Field Perspective" |
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2:35 – 3:00 pm |
RECESS |
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3:00 – 3:30 pm |
BOARD BUSES FROM MCKIMMON CENTER AND WOLF VILLAGE TO THE STATE CLUB |
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3:30 – 4:00 pm |
REFRESHMENTS AND POSTER SETUP (The State Club) |
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Session Chair: Lubos Mitas |
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4:00 – 6:30 pm |
POSTERS AND REFRESHMENTS (The State Club) |
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6:30 – 7:00 pm |
COCKTAILS (The State Club) |
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7:00 – 9:00 pm |
DINNER (The State Club) |
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9:00 pm |
BOARD BUSES TO THE WOLF VILLAGE |
Friday,
June 15 (All sessions in McKimmon)
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8:30 – 9:00 am |
BREAKFAST BUFFET |
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Session Chair: David Ceperley |
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9:00 - 9:35 am |
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9:35 - 10:10 am |
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10:10 - 10:30 am |
COFFEE BREAK |
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Session Chair: Nicola Marzari |
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10:30 - 11:05 am |
F. Giustino, UC Berkeley, "Electron-phonon interaction in carbon-based materials: from superconducting diamond to single-layer graphene" |
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11:05 - 11:40 am |
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11:40 - 11:50 am |
CONCLUDING REMARKS |
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11:50 - 12:50 pm |
LUNCH SERVED |
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12:50 - 1:30 pm |
DORM CHECK-OUT (Wolf Village – Dorm residents only) |
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1: 30 pm |
BOARD BUSES FOR THE AIRPORT AT WOLF VILLAGE |
END