Accelerated Global Potential Energy Landscape Discovery: A Hybrid Genetic Algorithm and Stochastic Surface Walking

Wen Liu1, Zhi-Pan Liu1,2, Cheng Shang1

  • 1State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai200433, China.

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