Research Topic · Peer-Reviewed

Computational Chemistry

Computational chemistry is an interdisciplinary field of science combining computer science and chemistry. It makes use of computational models and simulations to study chemical systems and to predict chemical properties and behaviours. Computational chemistry is an invaluable tool for researchers in the chemical an…

📚 0 peer-reviewed articles cited 🗓 Reviewed July 2026

Overview

Computational chemistry is an interdisciplinary field of science combining computer science and chemistry. It makes use of computational models and simulations to study chemical systems and to predict chemical properties and behaviours. Computational chemistry is an invaluable tool for researchers in the chemical and pharmaceutical industries, as well as other scientific fields, as it can be used to accurately predict the outcome of laboratory experiments and to aid in the design of new materials and drugs. Computational chemistry also aids in the understanding of complex chemical processes and interactions, such as those in natural environments, thus enabling the development of new products and technologies.

Research published in this journal

No peer-reviewed research on this exact topic has been published in Systems Biology yet. Browse the journal →

Editorial oversight

Curated from peer-reviewed research published in Systems Biology.

Journal editorial board
Miklos Nyitrai · Hungary Sutopa Dwivedi · United States Leon Bobrowski · Poland

This page summarises published research for orientation; it is not medical or professional advice.