CADMIA
ActiveA modular CLI suite for studying nanocluster reactivity and adsorption with quantum chemistry (Gaussian 16, ORCA 5/6), built around a common data core with full scientific traceability.
- CLI
- Quantum Chemistry
- Nanoclusters
- Adsorption
Pablo Daniel Álvarez Hernández
Computational Chemistry · Scientific Software · Research
Research and software development at the intersection of computational chemistry, scientific computing, and molecular modeling.
Scientific Software
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VISQ
ActiveA modern, modular platform for visualizing and analyzing the results of static quantum-chemistry calculations — molecular structures, electronic properties, orbitals, densities and scalar fields — with an architecture designed to remain maintainable and extensible for the long term.
- Molecular Visualization
- Orbitals
- Electron Density
- Scalar Fields