研究领域

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Physical Chemistry

There is a strong method, algorithm and software development aspects embedded within my research interests, which include: 1) Nanoclusters - predicting their atomic and electronic structure and properties 2) Global optimisation - developing algorithms for finding low energy atomic positions for nanoparticles, 1D rods and tudes, surfaces and interfaces, and crystals 3) Materials Chemistry - developing new interatomic potentials that can reproduce observed structures