Computational chemistry

{
  "id": "MLC-T-CHM-002348",
  "term": "Computational chemistry",
  "field": "Chemistry",
  "definition": "A branch of chemistry that employs computer simulations and theoretical models to solve chemical problems. It uses principles of quantum mechanics, classical mechanics, and statistical mechanics to predict molecular properties, reaction mechanisms, and material behavior. This field is widely applied in drug design, materials science, and understanding chemical processes.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1141 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/computational-chemistry/"
}