Computational modelling has grown over the last 40 years into a widely applied methodology in the scientific community. The uptake in the chemistry, as in other sciences, has not always been smooth, although the movement gains momentum as increasing computer power correspondingly increases the complexity of computer simulations of chemical systems.

High-performance computing in the chemistry and physics of materials INTRODUCTION

Citations

Theory Choice in Chemistry: Attitudes to Computer Modelling in Chemistry

Related Papers (5)

Modeling of catalysts and its relation to experimental problems - discussion

Nanosciences at NCNST: from fundamental research to industrial applications.

An overview on the special issue - The assessment of CO2 utilization technology in China

Special Issue Advances in Characterization and Modeling of Particulate Processes Preface

Where in the World is Science and Technology Going