Invited Speakers

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Keynote

  • Frank Stillinger, Princeton University - "Chiral Symmetry Breaking via Computer Simulation"

Future Trends in Modeling, Simulation, and Data Mining

  • Andrea Browning, Boeing - "Future of Materials Design with Computations"
  • Jinghai Li, Chinese Academy of Science - "Mesoscale Modeling: the Key to Virtual Process Engineering"
  • Alan Aspuru-Guzik, Harvard - "Billions and Billions of Molecules:  Exploring Chemical Space"

Energy and Environmental Applications

  • Chris Wolverton, Northwestern University - "A Materials Genome Approach to Designing Nanostructured Thermoelectrics"
  • Kristen Fichthorn, Penn State University - "Growth and Assembly of Nanoscale Materials:  Insights from Simulation"
  • Jonathan Moore, Dow Chemical - "Data-Driven and Fundamental Modeling in Industrial R&D"

Catalysis and Interfaces

  • Joachim Sauer, Humboldt University Berlin - "Ab initio Free Energy Predictions for Gas Adsorption and Separation in Nanoporous Materials"
  • Daniella Kohen, Carleton College - "Behavior of Carbon Dioxide within Zeolites: Atomistic Simulations"
  • Jeff Errington, University at Buffalo - "Using Molecular Simulation to Examine the Sequestration of Carbon Dioxide in Saline Aquifers"
Complex Fluids and Materials
  • Coray Colina, Penn State University - "in silico Design: Synthesis and Characterization of Functional Polymeric Materials"
  • Ed Maginn, University of Notre Dame - "Using Molecular Simulation to Understand and Predict the Thermodynamic and Transport Properties of Ionic Liquids"
  • Marjolein Dijkstra, Utrecht - "Colloidal Self-Assembly:  Predicting and Designing New Structures"

Reactive Force Fields

  • Adri van Duin, Penn State University - "Applications of the ReaxFF Force Field for Identifying Reactive Properties for Complex Materials and Interfaces"
  • Susan Sinnott, University of Florida - "Material Chemistry with Dynamic Charge Reactive Potentials"

Biomaterials and Biological Systems 

  • Sabrina Pricl, University of Trieste - "Of (Computer, Cells) Mice and Men:  Integration of Simulations and Experiments in Biomedical Sciences"
  • Yiannis Kaznessis, University of Minnesota - "Multiscale Models for Antibiotic Cellbots"
FOMMS Medal Lecture
  • Carol Hall, North Carolina State University - "Confessions of a Slow Learner: Lessons Learned over a Decade of Protein Aggregation Simulations"
Workshops
  • Solving common software problems in computational labs
  • Using GPUs for bigger and faster simulations
  • Data Mining, Machine Learning, and Materials Informatics

* all confirmed