GOCIA is a global optimization toolkit and Python modules specialized for sampling supported clusters, restructured interfaces and adsorbate configurations. Copyright © 2020 Zisheng Zhang

Oct 3, 2024 · GOCIA is built to achieve efficient global optimization of periodic systems and can handle internally many nuances that come under the periodic boundary conditions such as overlapping of …

Here we report a highly versatile python code, GOCIA (Global Optimizer for Clusters, Interfaces, and Adsorbates), which features grand canonical genetic algorithm (GCGA) to efficiently explore the …

Dec 17, 2024 · Here, we report GOCIA, a versatile global optimizer for exploring the chemical space of these systems.

```GOCIA``` is a global optimization toolkit and Python modules specialized for sampling supported clusters, restructured interfaces and adsorbate configurations.

GOCIA is built to achieve eficient global optimization of periodic systems and can handle internally many nuances that come with the periodic boundary conditions such as collision of atoms and breaking of …

Dec 9, 2024 · Here, we report GOCIA, a versatile global optimizer for exploring the chemical space of these systems. It features the grand canonical genetic algorithm (GCGA), which bases the target …

A set of scripts for flexible Raman off-resonant activity calculation for surface slabs, using VASP as a DFT back-end. Stanford Energy Fellow @SLAC | PhD in Theo.&Comput. Chemistry @ UCLA. Add …

Z.Zhang , GOCIA: Global Optimizer for Clusters, Interfaces, and Adsorbates, https://github.com/zishengz/gocia Salcedo, Small, № 19, с. 2300945 …

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