Workshop on Multiscale Modeling and Simulation
2012 NSF Pan American Advanced Studies Institute (PASI)
MONDAY SEPTEMBER 3
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Giovanni Bussi: Crooks and Jarzynski/ Intro to rare events and CVs
Massimiliano Bonomi: Theory of simulated tempering and replica exchange
Massimiliano Bonomi: Theory of umbrella sampling and SMD
G. Bussi: Research highlights
S. Pantano: Research highlights
J. Pfaendtner: Research highlights
M. Parrinello: Keynote Lecture 1
C. Abrams: Research highlights
M. Skaf: Research highlights
TUESDAY SEPTEMBER 4 - - - WORKSHOP - - -
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S. Pantano: Research highlights
J. Pfaendtner: Research highlights
M. Parrinello: Keynote Lecture 1
C. Abrams: Research highlights
M. Skaf: Research highlights
WEDNESDAY SEPTEMBER 5
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Baron Peters: Rare event and rate theory
Michele Parrinello: Keynote Lecture 2
Massimiliano Bonomi: Multiple walkers and combination of metadynamics with replica exchange methods // Path collective variables
Baron Peters: Rare event and rate theory
Leandro Martinez: Robust optimization strategies for the analysis of protein dynamics
FRIDAY SEPTEMBER 7
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Leandro Martinez: Robust optimization strategies for the analysis of protein dynamics
SATURDAY SEPTEMBER 8
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Sergio Pantano: SIRAH: a CG force field for biomolecular simulations
MONDAY SEPTEMBER 10
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Monica Lamm: Force matching fundamentals
WEDNESDAY SEPTEMBER 12
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Roland Faller: Fundamentals of the Iterative Boltzmann Inversion
Roland Faller: Research group highlights
Roland Faller: Research group highlights
THURSDAY SEPTEMBER 13
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Eric Vanden-Eijnden: Rare Events Theory
Eric Vanden-Eijnden: Rare Events Numerical Implementation
FRIDAY SEPTEMBER 14
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Roland Faller: Using the IBI for polymers
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