Sometimes a visually compelling metaphor is all you need to get an otherwise complicated idea across. In the summer of 2001, a Tulane physics professor named John P.

SO-QFT simulation of 2D hydrogenic electron. (A) Real projections of the ground ψ0,0 state (left) and a first excited ψ1,1 state (right) of 2D hydrogen. Note that the plots here do not reflect the ...

The powerful software can reduce the time needed to simulate reactions with large molecules from weeks to just minutes.

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 ...

Polymers are fundamental to our daily lives, serving as the core components for a wide array of goods, including clothing, packaging, transportation infrastructure, construction materials, and ...

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 ...

Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics through motion experiments, and earth science through field observations. That ...

Organic chemistry students and bench chemists alike rely on the Grignard reaction, a relatively simple way to make carbon-carbon bonds. But even though the reaction was first described 120 years ago, ...

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 ...

Researchers at the Department of Energy’s Oak Ridge National Laboratory have developed a quantum chemistry simulation benchmark to evaluate the performance of quantum devices and guide the development ...

NEW YORK--(BUSINESS WIRE)--Accenture (NYSE: ACN) has made a strategic investment, through Accenture Ventures, in Good Chemistry Company, a company that uses quantum chemistry, machine learning and ...

IonQ, Inc. (NYSE:IONQ) shares are trading higher on Monday after it achieved a major step forward in quantum chemistry simulations, demonstrating accurate atomic-level force calculations using its ...