Bridging the Gap: Transitioning from Deterministic to Stochastic Interaction Modeling in Electrochemistry Tutorials

Part of the Long Program Bridging the Gap: Transitioning from Deterministic to Stochastic Interaction Modeling in Electrochemistry
September 4 - 9, 2025

Schedule

All times in this Schedule are Pacific Time (PT)

Thursday, September 4, 2025

Morning Session
8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)
8:55 - 9:00 Welcome and Opening Remarks
9:00 - 10:15
Jörg Neugebauer (Max-Planck-Institut für Eisenforschung)

Hands-on Tutorial: DFT and MD

10:15 - 10:45 Break
10:45 - 12:00
12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
3:15 - 3:45 Break
3:45 - 5:00
Mira Todorova (Max-Planck-Institut für Eisenforschung GmbH)

Molecular Level Modeling: Part 1


Friday, September 5, 2025

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 - 10:15
Jörg Neugebauer (Max-Planck-Institut für Eisenforschung)

Hands-on Tutorial: DFT and MD

10:15 - 10:45 Break
10:45 - 12:00
12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
3:15 - 3:45 Break
3:45 - 5:00
Jörg Neugebauer (Max-Planck-Institut für Eisenforschung)

Hands-on Tutorial: DFT and MD


Monday, September 8, 2025

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 - 10:15
Manuel Landstorfer (Weierstraß-Institut für Angewandte Analysis und Stochastik (WIAS))

Modeling Electrochemistry with Continuum Non-Equilibrium Thermodynamics: Part 1

10:15 - 10:45 Break
10:45 - 12:00
Juergen Fuhrmann (Weierstraß-Institut für Angewandte Analysis und Stochastik (WIAS))

Thermodynamically Consistent Finite Volume Methods for Generalized Nernst-Planck-Poisson Problems
PDF Presentation
12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
3:15 - 3:45 Break
3:45 - 5:00
Richard Hennig (University of Florida)

Implicit Solvation Models
PDF Presentation

Tuesday, September 9, 2025

Morning Session
8:00 - 9:00 Check-In/Breakfast (Hosted by IPAM)
9:00 - 10:15
Mira Todorova (Max-Planck-Institut für Eisenforschung GmbH)

Molecular Level Modeling: Part 1

10:15 - 10:45 Break
10:45 - 12:00
Manuel Landstorfer (Weierstraß-Institut für Angewandte Analysis und Stochastik (WIAS))

Modeling Electrochemistry with Continuum Non-Equilibrium Thermodynamics: Part 1

12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
Richard Hennig (University of Florida)

Implicit Solvation Models

3:15 - 3:45 Break
3:45 - 5:00