Workshop III: Batteries and Fuel Cells - IPAM

Workshop III: Batteries and Fuel Cells

Part of the Long Program Materials for a Sustainable Energy Future
November 4 - 8, 2013

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, November 4, 2013

Morning Session

08:00-09:00
Check-In/Light Breakfast (Hosted by IPAM)
Session Chair: G. Henkelman
09:00-09:15
Welcome and Opening Remarks
09:15-09:55
Chris Wolverton (Northwestern University)
Predicting Novel Materials for Li-ion and Li-O2 Batteries
10:15-10:30
Break
10:30-11:10
Klaus-Dieter Kreuer (Max-Planck-Institut für Festkörperforschung (Solid State Research))
Proton and Hydroxide Ion Conducting Polymer Membranes for Fuel Cells: Fundamentals, Research Strategies and Implications for the Development of Separator Membranes for Redox-Flow and Alkaline- Ion Batteries
11:30-11:45
Break
11:45-12:25
Axel Gross (Universität Ulm)
Towards a first-principles description of structures and processes in electrochemical energy storage and conversion

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: C. Wolverton
14:30-15:10
Adam Weber (Lawrence Berkeley Laboratory)
Macroscopic Modeling of Performance Concerns in Proton-Exchange-Membrane Fuel-Cell Catalyst Layers
15:30-04:00
Pre-Poster Session Introductions: Presenters will give brief introductions of their posters for Tuesday's Session
4:30 PM: IPAM Public Lecture: Korn Convocation Hall, Anderson School (UCLA)
16:30-17:30
Emily Carter (Princeton University)
Public Lecture: Quantum Mechanics and the Future of the Planet
18:00-19:00
Private Reception (by invitation only)

Tuesday, November 5, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: A. Gross
09:00-09:40
Bruce Dunn (University of California, Los Angeles (UCLA))
Three-Dimensional Battery Architectures
10:00-10:15
Break
10:15-10:55
Anton van der Ven (University of California, Santa Barbara (UC Santa Barbara))
Connecting electronic structure to phenomenological descriptions of dynamic processes in electrodes
11:15-11:30
Break
11:30-12:10
Emily Carter (Princeton University)
First Principles Quantum Mechanics Methods for Simulating Fundamental Phenomena in Batteries and Fuel Cells

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: M. Tuckerman
14:30-15:10
Troy Farrell (Queensland University of Technology)
Mathematical Modelling and Numerical simulation of LiFePO4 Cathodes
15:30-16:00
Break
16:00-16:40
Keith Promislow (Michigan State University)
Network Structures in Amphiphilic Materials: Morphology and Transport
17:00-18:00
Reception and Poster Session (Hosted by IPAM)

Wednesday, November 6, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: K. Persson
09:00-09:40
Venkat Subramanian (Washington University in St. Louis)
Mathematics in the Driver's Seat
10:00-10:15
Break
10:15-10:55
Richard Braatz (Massachusetts Institute of Technology)
A Roadmap for the Multiscale Simulation of Lithium-ion Batteries
11:15-11:30
Break
11:30-12:10
Vidvuds Ozolins (University of California, Los Angeles (UCLA))
Sparse physics and its applications to energy materials

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: B. Wetton
14:30-15:10
Kristin Persson (University of California, Berkeley (UC Berkeley))
The Coupling Between Cation Ordering And Phase Evolution And Its Implications For Single-Phase Cathode Design: A case study of the high-voltage Lixni0.5 Mn1.5 O4 spinel from first-principles modeling
15:30-16:00
Break
16:00-16:40
Katsuyo Thornton (University of Michigan)
Smoothed-Boundary-Method Electrochemical Simulation Framework for Battery Materials

Thursday, November 7, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: K.D. Kreuer
09:00-09:40
Jacob White (Massachusetts Institute of Technology)
Model Reduction Based Battery Modeling for Simulating Vehicle Cooling Systems
10:00-10:15
Break
10:15-10:55
Stephen Paddison (University of Tennessee)
Structure/function modeling of Polymer Electrolytes: Effects of confinement and hydrophobicity
11:15-11:30
Break
11:30-12:10
Brian Wetton (University of British Columbia)
Modelling fuel cells in start-up and reactant starvation conditions

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: M. Bazant
14:30-15:10
Edwin Garcia (Purdue University)
Spatially-Resolved Modeling of Three-Dimensionally Reconstructed Li-Ion Battery Electrode Microstructures
15:30-16:00
Break
16:00-16:40
Martin Bazant (Massachusetts Institute of Technology)
Nonequilibrium Thermodynamics of Li-ion Batteries

Friday, November 8, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: K. Promislow
09:00-09:40
Mark Tuckerman (New York University)
Understanding the mechanisms of proton transport in hydrogen bonded media from first-principle molecular dynamics
10:00-10:15
Break
10:15-10:55
Daniel Cogswell (Samsung Advanced Inst. of Technology)
Modeling non-equilibrium microstructure in electrochemistry
11:15-11:30
Break
11:30-12:10
Richard Hennig (University of Florida)
Computational Methods for Structure Prediction and Solid/Liquid Interfaces for Energy Materials

Afternoon Session

12:30-12:30
Conclusion
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