All Categories (1-2 of 2)

1. General Automated Atomic Model Parameterization (GAAMP)

   09 May 2024

   The web server will automatically optimize the parameters of a force field for a desired molecule based on ab initio data. The web server will automatically optimize the parameters of a force field for a desired molecule based on ab initio data.

2. ParamChem Gateway (paramchem)

   09 May 2024 |

   ParamChem is a NSF sponsored initiative to develop an integrated cyber environment to address the simulation needs of molecular sciences. The proposed infrastructure will provide reference data organizers and generators as well as workflows for automatic...