Molecular dynamics

{
  "id": "MLC-T-CHM-007486",
  "term": "Molecular dynamics",
  "field": "Chemistry",
  "definition": "A computational simulation technique for studying the physical movements of atoms and molecules over time. The method calculates the trajectory of each particle in a system by integrating Newton's equations of motion, based on a given interatomic potential or force field. Simulations are typically run for periods ranging from nanoseconds to microseconds, providing insight into conformational changes and thermodynamic properties.",
  "subject": "Physical and Biophysical Chemistry",
  "see_also": [
    "reaction dynamics",
    "newton"
  ],
  "references": [
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 175 (https://doi.org/10.1351/pac199668010149)",
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1146 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-dynamics/"
}