marcoscaa

Pinned Repositories

• amines_co2

  Training data for a DNN potential to model CO2 chemisorption in liquid amines

  10

• CNT_water

  Language:Shell02

• kliff

  KIM-based Learning-Integrated Fitting Framework (KLIFF).

  Language:Python00

• libxc-car_grp_mirror

  Language:C00

• MD_analysis

  Language:Fortran00

• plumed2

  Development version of plumed 2

  Language:C++00

• qe-car_group_mirror

  Developer version of QE including SCAN functional support

  Language:Fortran00

• TiS2_Water

  Training data for the TiS2-water ML potential

  Language:Shell00

• kliff

  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

  Language:Python3420

• workshop-july-2020

  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020

  Language:Shell2310

marcoscaa's Repositories