Tags: LAMMPS

Online Presentations (1-1 of 1)

  1. Structure-Force Field Generator for Molecular Dynamics Simulations

    07 Aug 2017 | | Contributor(s):: Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan

    Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first principle simulations of large molecules are still not possible because the high computational time and...