A quantum computer has used a single atom to model the complex dynamics of organic molecules interacting with light ...

Computational chemistry software uses theoretical chemistry methods to calculate molecular properties and structures, often on a quantum level. Cheminformatics helps computers and scientists ... Each ...

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin demonstrate how a quantum computer can help accurately model the ...

These unique properties give quantum computers a significant computational ... encryption methods by factoring large prime numbers much faster than classical computers. In chemistry and material ...

(Walter Kohn, who co-invented this theory 60 years ago, received a Nobel Prize in Chemistry for it in 1998.) While the method ... different computational chemistry technique, also derived from ...

Researchers recently published findings that could lay the groundwork for applying quantum computing methods to ... team's expertise ranges from computational biology and chemistry, structural ...

Researchers at IBM and Lockheed Martin teamed up high-performance computing with quantum computing to accurately model the electronic structure of ‘open-shell’ molecules, methylene, which has been a ...