Materials for a Sustainable Energy Future

September 9 - December 13, 2013

Seminar Series


Tuesday, September 17, 2013

2:30 - 3:00
Shannon Stauffer (University of Texas at Austin)

Characterizing States of Charge of Silicon Anodes for Lithium-ion Batteries Using an Empirical Potential

3:30 - 4:00
Daniel Berger (Technical University Munich (TUM))

All-electron qm/mm embedding


Thursday, September 19, 2013

2:30 - 3:00
Noa Kraitzman (Michigan State University)

Motion of co-dimensions 1 and 2 structures under the functionalized Cahn-Hilliard Free Energy

3:30 - 4:00
Penghao Xiao (University of Texas at Austin)

The Challenges in Dimer Method for Saddle Point Searching


Tuesday, October 1, 2013

2:30 - 3:00
Juliana Duncan (University of Texas at Austin)

Machine Learning Applications to Simulating Rare Events

3:30 - 4:00
Ankita Katre (Interdisciplinary Centre for Advanced Materials Simulation (ICAMS))

Modelling Phonons in SiGe Alloys


Thursday, October 3, 2013

2:30 - 3:00
Bjoern Bieniek (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

Ultra-thin ZnO Films on Metal Substrates: Suitable ZnO Surface Models or Novel Systems in Their Own Rights?

3:30 - 4:00
Linas Vilciauskas (New York University)

DFT based molecular dynamics and proton transport: phosphates vs. water


Tuesday, October 8, 2013

2:30 - 3:00
Christoph Schaller (Freie Universität Berlin)

Achieving nanometer resolution in fluorescence microscopy


Thursday, October 10, 2013

2:30 - 3:00
Yi Zeng (Massachusetts Institute of Technology)

Theoretical Comparison of Dimer and Lanczos Algorithms in Minimum Mode Searching

3:30 - 4:00
Anton Kolleck (Technische Universität Berlin)

An Introduction to Compressed Sensing


Tuesday, October 22, 2013

2:30 - 3:00
Daniel Packwood (Tohoku University)

2D molecular magnets with weak topological invariant magnetic moments


Thursday, October 24, 2013

2:30 - 3:00
Nicolas Hoermann (Universität Ulm)

Ab initio Li battery modeling

3:30 - 4:00
Jakub Kaminski (California Institute of Technology)

A new approach for the generation of heterocrystals


Tuesday, October 29, 2013

2:30 - 3:00
Nikhil Chandra Admal (University of Minnesota, Twin Cities)

The interpretation of stress in molecular systems


Thursday, October 31, 2013

2:30 - 3:00
Maria D'Orsogna (California State University, Northridge (CSU Northridge))

Stochastic nucleation and growth in biological systems


Tuesday, November 12, 2013

2:30 - 3:00
Mitchell Luskin (University of Minnesota, Twin Cities)

Theory-Based Development and Benchmarking of Atomistic-to-Continuum Coupling Methods

3:30 - 4:00
Eugene Heifets (California Institute of Technology)

"Modeling of Pathways for Oxygen Incorporation in Mixed Conducting Perovskites


Thursday, November 14, 2013

2:30 - 3:00
Gideon Simpson (Drexel University)

Convergence Diagnostics and Discretization Effects in Parallel Replica Dynamics

3:30 - 4:00
Nahia Mourad (Ecole Nationale Des Ponts et Chaussees (LAMI))

On density functional perturbation theory


Monday, November 25, 2013

11:00 - 12:00
Christian Sattler (German Aerospace Center (DLR))

Solar Cells: work carried out by the German Aerospace Center
PDF Presentation