AIMD

There are multiple definitions:

  1. ab initio molecular dynamics(English)

    • combines classical Newton's laws for atomic motion with quantum mechanical forces calculated "on-the-fly" using methods like Density Functional Theory (DFT), allowing simulations of complex chemical systems (liquids, solids, reactions) without needing pre-fitted parameters, capturing accurate dynamics, polarization, and quantum effects crucial for understanding materials and chemical processes
    • DFT, MD
    • Biochemistry, Biophysics
    • https://doi.org…pnas.0500193102
  2. antibiotic-induced microbiome depletion(English)