gustavojra Goto Github PK

Post doctoral research fellow in the Ribeiro group at Emory University.

• Chemistry

  • Quantum Chemistry
  • Reaction mechanisms
  • Kinetics
  • Thermodynamics

• Physics

  • Modern Physics
  • Molecular Quantum Mechanics
  • Second Quantization methods

• 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!

Ribeiro Group Tutorials

For electronic structure-oriented programming projects, check out the CCQC summer program GitHub.

Other resources:

Sherrill's notes on quantum chemistry.

Crawford's C++ tutorials.

gustavo.aroeira at emory.edu