MD Summer Workshop at Temple 2014
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School on Molecular Dynamics for Biomolecules and Nanomaterials
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Day 1, Monday 18-Aug
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Tuttleman Learning CenterRoom:
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8:30Arrival at Tuttleman Learning CenterTuttleman Learning Center,
1809 N 13th St
Temple University, Philadelphia, PA
301AB
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9:00
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9:00Welcome and Workshop OverviewDr. Chris MacDermaid301AB
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9:10
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9:10Classical Force Fields and Introduction to Molecular DynamicsDr. Mercedes Alfonso-Prieto, Dr. Lucie Delemotte & Dr. Eleonora Gianti 301AB
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10:50
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10:50Coffee Break 15'301AB
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11:05
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11:05Introduction to Visualization with VMD 45'Dr. Axel Kohlmeyer301AB
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11:50
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11:50Introduction to Topology Creation and Basic NAMD 45'Dr. Chris MacDermaid301AB
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12:30
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12:30Lunch Break (On your own) (Local Listings) 60'
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1:30
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1:30Hands on with VMD and NAMDDr. Axel Kohlmeyer, Dr. Chris MacDermaid, Dr. Mercedes Alfonso-Prieto, Dr. Lucie Delemotte & Dr. Eleonora Gianti9
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4:00
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Day 2, Tuesday 19-Aug
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Tuttleman Learning CenterRoom:
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9:00Classical Statistical Mechanics and Advanced Molecular Dynamics 90'Dr. Vincenzo Carnevale301AB
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10:30
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10:30Coffee Break 30'
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11:00
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11:00Effective Simulation with NAMD 90'Dr. Giacomo Fiorin, Dr. Mercedes Alfonso-Prieto & Dr. Hao Dong301AB
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12:30
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12:30Networking lunch sponsored by ICMSNearby 301
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1:30
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1:30More Hands-on with NAMDDr. Giacomo Fiorin, Dr. Mercedes Alfonso-Prieto & Dr. Hao Dong, Dr. Chris MacDermaid9
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4:00
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Day 3, Wednesday 20-Aug
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Tuttleman Learning CenterRoom:
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9:00Advanced Force Fields for Materials Science 90'Dr. Axel Kohlmeyer301AB
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10:30
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10:30Coffee Break 30'
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11:00
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11:00Introduction to LAMMPS 90'Dr. Chris MacDermaid301AB
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12:30
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12:30Lunch Break (On your own) (Local Listings) 60'
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1:30
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1:30Hands-on With LammpsDr. Axel Kohlmeyer and Dr. Chris MacDermaid9
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4:00
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Day 4, Thursday 21-Aug
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Tuttleman Learning CenterRoom:
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9:00Enhanced Sampling Methods: Umbrella, Metadynamics, ABF 90'Dr. Giacomo Fiorin301AB
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10:30
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10:30Coffee Break 30'
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11:00
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11:00Introduction to the Colvars Library with NAMD and LAMMPS. 90'Dr. Giacomo Fiorin301AB
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12:30
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12:30Lunch Break (On your own) (Local Listings) 60'
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1:30
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1:30Enhanced Sampling Hands-on using Colvars with NAMD and LAMMPSDr. Giacomo Fiorin & Dr. Chris MacDermaid9
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4:00
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Day 5, Friday 22-AugPrograms ends at 12:30
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Tuttleman Learning CenterRoom:
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9:00On-the-fly analysis and visualization with LAMMPSDr. Axel Kohlmeyer9
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10:30
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10:30Coffee Break 15'
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10:45
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10:45Advanced analysis and visualization with VMDDr. Axel Kohlmeyer9
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12:30
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