Documents, guides and solutions

• Vibrational frequencies from DFT calculations (v1.0, spanish, pdf)

• Thermodynamic properties from DFT calculations (v1.2, spanish, pdf)

• Computation of thermodynamic properties (v1.0, odt spreadsheet)

• Kinetic Isotopic Effect (v1.0, english, pdf)

• Basic notes on XRD (pdf)

• Process Control - Example Seaborg 11.2-11.3 (pdf)

• Fermi Correlation in He states and Slater Be (pdf)

• Reactor design balances (spanish, fixed bed pdf, fluidized pdf)

Code

Check the GitHub repository at github.com/sebagodoy. The most relevant are:

• stegoplot: Post-processing python package for ab-initio molecular thermodynamics and plot reaction energy profiles.

• VASP_tools: Miscellaneous python, bash and vba tools to work with VASP input/output files in HPC centers and personal computers.

• DL_Poly_Tools: Tools to work with input/output DLPOLY files

• LabAutomatization: Matlab app for programing batch test using Kofloc Mass controllers

Posters

Congress posters prepared in Krita (free, illustration software)

Please note that these were prepared for congress presentations at their own time. The information and interpretation in these may (most probably) be outdated, do not refer to these for their information but only as template or example for poster's design. If you are interested in the results please refer only to journal publications or contact for updated results and interpretations.