pamellaccar
PhD candidate in physical-chemistry at State University of Campinas (UNICAMP). My interests are Theoretical Chemistry and Molecular Dynamics of complex systems.
University of Campinas (UNICAMP).Campinas, SP
Pinned Repositories
gromacs_plumed_hremd
A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to perform replica exchanges
gromacs_with_packmol
A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
julia_for_molecular_dynamics
My progress in programming in Julia for Molecular Dynamics (a subject in the University)
machine_learning_for_chemistry
problems solved in python for chemistry
pamellaccar
Config files for my GitHub profile.
pamellaccar's Repositories
pamellaccar/gromacs_with_packmol
A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
pamellaccar/gromacs_plumed_hremd
A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to perform replica exchanges
pamellaccar/julia_for_molecular_dynamics
My progress in programming in Julia for Molecular Dynamics (a subject in the University)
pamellaccar/pamellaccar
Config files for my GitHub profile.
pamellaccar/machine_learning_for_chemistry
problems solved in python for chemistry