Navigating Chemical Compound Space for Materials and Bio Design: Tutorials - IPAM

Navigating Chemical Compound Space for Materials and Bio Design: Tutorials

Part of the Long Program Navigating Chemical Compound Space for Materials and Bio Design
March 15 - 18, 2011

Schedule

All times in this Schedule are Pacific Time (PT)

Tuesday, March 15, 2011

Morning Session

08:00-08:45
Check-In/Light Breakfast (Hosted by IPAM)
08:45-09:00
Welcome and Opening Remarks
09:00-10:00
Anatole von Lilienfeld (University of Basel)
Introduction
10:00-10:30
Break
10:30-12:00
Cynthia Phillips (Sandia National Laboratories)
Introduction to Optimization

Afternoon Session

12:00-12:30
IPAM Core Orientation
12:30-14:00
Lunch (on your own)
14:00-15:30
Kieron Burke (University of California, Irvine (UCI))
ABC of DFT
15:30-16:00
Break
16:00-16:45
Jeff Hammond (Argonne National Laboratory)
High Performance Computing I

Thursday, March 17, 2011

Morning Session

08:00-09:00
Continental Breakfast
09:00-10:15
Kieron Burke (University of California, Irvine (UCI))
ABC of TDDFT
10:15-10:45
Break
10:45-12:00
Tudor Oprea (University of New Mexico)
QSPR II

Afternoon Session

12:00-13:30
Lunch (on your own)
13:30-14:15
Jeff Hammond (Argonne National Laboratory)
High Performance Computing II
14:15-14:45
Break
14:45-15:45
Klaus-Robert Müller (Technische Universität Berlin)
Machine Learning II
15:45-16:15
Break
16:15-17:30
Mark Tuckerman (New York University)
Exploring the free energy landscape of biomolecules and crystalline polymorphs

Friday, March 18, 2011

Morning Session

08:00-09:00
Continental Breakfast
09:00-10:15
Cynthia Phillips (Sandia National Laboratories)
Mathematical programming and combinatorial heuristics
10:15-10:45
Break
10:45-12:00
Saivenkataraman Jayaraman (Massachusetts Institute of Technology)
Alchemical changes within molecular dynamics

Afternoon Session

12:00-14:00
Lunch (on your own)
14:00-15:15
Mark Tuckerman (New York University)
Exploring the free energy landscape of biomolecules and crystalline polymorphs
15:15-15:45
Break
15:45-16:15
Matthias Rupp (MLPRC2)
Machine Learning III
16:15-16:30
Break
16:30-17:15
Denis Andrienko (Max Planck Institute for Polymer Research)
Hot Topics in Materials Design
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