Assistant Professor of Computational Chemistry at Hofstra University.
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Chemistry
- Quantum Chemistry
- Reaction mechanisms
- Kinetics
- Thermodynamics
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Physics
- Modern Physics
- Molecular Quantum Mechanics
- Second Quantization methods
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Computer Science
- High performance computing
- Julia programming language
- Automatic differentiation
- Fermi: Quantum chemistry package.
- Molecules: A package to manipulate Cartesian coordinates and compute molecular properties.
- GaussianBasis: A basis set manager.
If you are looking to get started on scientific computing or theoretical physical chemistry, we have put together some tutorials in programming and light-matter interactions, check it out!
For electronic structure-oriented programming projects, check out the CCQC summer program GitHub.
Other resources:
Sherrill's notes on quantum chemistry.
Gustavo.RibeiroAroeira at hofstra.edu