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 ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

Like the evolution of species, the wheel emerged gradually from an accumulation of small improvements. Scientists Design “Virtual Twins” to Pre-test Medical Treatments Customized computer models of ...