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1. ORCA_Mechanism_Procedure ORCA_Mechanism_Procedure Public

   This article has been written to help chemists to run mechanistic studies in ORCA

   Shell 5

2. GardenGroupUO/Computational_Silver_Nanoparticle_Exercise GardenGroupUO/Computational_Silver_Nanoparticle_Exercise Public

   This is a computational exercise for learning about silver nanoprisms and why their colour is related to their diameter. Runs in Google Colab and uses Python3. Designed for high school students.

   Jupyter Notebook 1 1

3. GardenGroupUO/Organisms GardenGroupUO/Organisms Public

   The Otago Research Genetic Algorithm for Nanoclusters, Including Structural Methods and Similarity (Organisms) program is a genetic algorithm designed to globally optimise nanoclusters (also known …

   Python 8 5

4. GardenGroupUO/Adsorber GardenGroupUO/Adsorber Public

   Adsorber is designed to adsorb atoms and molecules in various way to a nanocluster or surface.

   Python 5 1

5. GardenGroupUO/NISP GardenGroupUO/NISP Public

   The Nanocluster interpolation Scheme Program (NISP) is designed to perform an interpolation scheme that gives idea of the types of icosahedral, decahedral, and octahedral clusters that may exist at…

   Python 1

6. GardenGroupUO/LatticeFinder GardenGroupUO/LatticeFinder Public

   LatticeFinder is a program designed to find the lattice constant for any bulk system. Currently developed for 3D materials, but maybe further developed for 2D materials.

   Jupyter Notebook