January 3, 2014. ANSYS announced today that it has completed the acquisition of Reaction Design, a developer of chemistry simulation software. The Company will provide further details regarding the ...

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 ...

Researchers led by Jin-Long Yang are developing code that is moving the scope of precise atomic-level quantum chemistry simulations up to a few hundred thousand atoms, making it possible to simulate ...

PALO ALTO, Calif., April 18, 2023 — QC Ware, a provider of chemistry simulation and machine learning solutions, today announced the release of Promethium, a modern software-as-a-service (SaaS) quantum ...

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That’s the message behind a recent perspective article published in the ...

Quantum chemistry is very hard. The best quantum computing chemistry seems to be at the level of 12 qubits / 12 atoms. Supercomputer simulations can handle 20 qubits and 20 atoms simulation. There are ...