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Water and not-quite-water: Insights from globally optimized cluster structures

GFM seminar

CIUL, B1-01

2008-11-25 14:30 .. 15:30

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by Bernd Hartke (University of Kiel, Germany)

The NP-hard problem of predicting optimal structures of atomic and molecular clusters can be addressed with stochastic-heuristic methods. An outline for our version of an evolutionary algorithm is given, including technical implementation aspects and benchmarks. Applications focus on water clusters, including new explanation attempts for their curious structures and a first survey of water clusters under pressure with implications for current plans to store greenhouse gases in sub-ocean sediments.

Past conference highlights: Symmetries in Quantum Physics 2017; Advances in Mathematical Fluid Mechanics, Stochastic & Deterministic Methods; Quantum Integrable Systems and Geometry; Chern-Simons Gauge Theory: 20 years after; Second Workshop on Quantum Gravity and Noncommutative Geometry; Infinite Dimensional Algebras and Quantum Integrable Systems II; Stochastic Analysis in Mathematical Physics; Mathematics in Chemistry; Geometric Aspects of Integrable Systems; ICMP 2003