2nd World Congress on
Organic Chemistry
August 04–05, 2025 | Virtual Event
CPD Accredited
Virtual Event
Phone: +44 2045874848
WhatsApp: +44 7383507342

WCOC 2025

Home Scientific Sessions Computational Organic Chemistry
Computational Organic Chemistry

Computational Organic Chemistry is a branch of chemistry that uses computational methods and simulations to understand and predict the behavior of organic molecules. By applying quantum mechanics, molecular dynamics, and statistical methods, researchers can explore reaction mechanisms, molecular structures, and properties without needing to conduct extensive experimental work. This field aids in the design of new molecules with desired properties, such as pharmaceuticals, materials, and catalysts.

  • Computational chemistry
  • Quantum mechanics
  • Molecular modelling
  • Density functional theory (DFT)

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