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 Chemistry: The development and use of computational methods to simulate, study, and predict the structures, properties and reactivity of molecules and materials. Theoretical Chemistry: ...

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...

Quantum computers promise to speed calculations dramatically in some key areas such as computational chemistry and high-speed networking ... the PNNL team turned to a type of algorithm known as graph ...

On February 11, the team from the Data Darkness Lab (DDL) at the Medical Imaging Intelligence and Robotics Research Center of ...