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“Atomistic Modeling of
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Date: |
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Time: |
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Wednesday, 29. Oct. 2014 |
Audio-only-Recording as MP3-File (smallest
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- Audio.mp3 (ca.30Mb) ============================================ Video-Recording for any system with MP4-support:
- Video.mp4 (ca.267Mb) |
15:15 – 16:15 |
Abstract :
Understanding
crystal growth on nucleation is crucial for controlling crystal properties.
Nucleation
however takes place on a time scale that exceeds our ability to simulate this
phenomena by straightforward
atomistic
molecular dynamics simulation. To this effect we have developed metadynamics as
very successful enhanced
sampling
method. We apply this approach to the study of nucleation from solution.
We unveil
the complex nature of this process and its deviation from standard theories.
Finally by
taking advantage of recent development we are able to compute nucleation rates.