Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

The joint local organizing committee by the Chemistry-Information-Computers division (CIC) of the German Chemical Society (GDCh) and the Working Group of Theoretical Chemistry (AGTC) cordially invites ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

The last few decades have witnessed a rapid development in the field of computational chemistry which is now a firmly established and rapidly growing field of chemistry. It has developed into an ...

Yet, the introduction of computational chemistry has completely changed this process by giving researchers the ability to predict and optimize the behavior of materials even before they are created in ...