Package containing several workflows to compute molecular properties for nanomaterials
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Jun 28, 2024 - Python
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nanomaterials
Here are 7 public repositories matching this topic...
Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
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Oct 23, 2021 - Python
Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
chemistry graph dataset scattering neutron x-ray graph-neural-networks nanomaterials atomic-structures
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Dec 15, 2024 - Python
Computation and filtering of molecular properties
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Feb 5, 2024 - Python
Python web application developed for nanomaterials course project
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Nov 27, 2022 - Python
Characterization of a single meta-atom pillar under local phase approximation demonstrating high transmission and linear phase shift.
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Jun 15, 2024 - Python
HyCAN is an open-source platform that accelerates clean hydrogen energy research. It combines machine learning, bioinformatics, and advanced materials science to optimize catalysts, simulate hydrogen production, and explore nanomaterials.
machine-learning sustainability collaboration computational-chemistry materials-science energy-storage renewable-energy green-energy nanomaterials hydrogen-energy
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Dec 24, 2024 - Python
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