Quantum Chemistry on Quantum Computers

A quantum computer is able to find answers to a problem without trial and error

Modelling Chemical Systems

Many problems in chemistry are optimization or minimization problems: think, for example, of trying to predict the most stable folded state of a protein from its primary sequence of amino acids. Conventional computers have made progress in tackling the protein-folding problem, but it still stretches the capabilities of supercomputers to their limit.

To understand how drugs bind to enzymes or how catalysts do chemical transformations, scientists need to simulate their quantum behaviour.

OpenFermion

Current version features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians