More than 20,000 possible structure candidates are used to find truly representative models

A group of Michigan State University researchers specializing in quantum calculations has proposed a radically new computational approach to solving the complex many-particle Schrödinger equation, which holds the key to explaining the motion of electrons…

Researchers at EPFL have developed a reactor system and an analysis method that has allowed them to observe the real-time production of synthetic natural gas from CO2 and H2 for the first time. Infrared (IR) thermography is used to determine the temperature…

Two rhenium atoms approach and retreat from one another in an electron microscope video.

Giant, 162 π-electron aromatic ring shows that we haven't reached the upper limit of Hückel's rule yet

Improperly mixed chemicals cause a shocking number of fires, explosions, and injuries in laboratories, businesses, and homes each year.

In a multi-‘cat’ experiment, the textbook interpretation of quantum theory seems to lead to contradictory pictures of reality, physicists claim.

Free energy results can vary significantly with the computational method, but a simple fix reduces errors

A team of researchers, two with the French Atomic Energy Commission (AEC) and a third with the Soleil synchrotron, have found evidence of a phase change for hydrogen at a pressure of 425 gigapascals. ...

Researchers at the Department of Energy’s Oak Ridge National Laboratory have developed a quantum chemistry simulation benchmark to evaluate the performance [...]

While eating takeout one day, University of Chicago scientists Bozhi Tian and Yin Fang started thinking about the noodles—specifically, their elasticity. A specialty of Xi'an, Tian's hometown in China, ...

Life as we know it wouldn't exist without it, but compared to other liquids, water is just a freaking weirdo. And, as it now turns out, it's even weirder than we thought. Scientists in Japan have demonstrated that water has not one, but two differe

The Grignard reaction is used to synthesize carbon-carbon bonds, a crucial step for making new molecules for academic and industry uses. Finding efficient and selective methods for this reaction, using ...

NWChem: Open Source High-Performance Computational Chemistry - nwchemgit/nwchem

Echoes, sounds that are repeated or reverberate as a result of waves reflected back to the listener, occur in several physical systems. In physics research, echoes are typically used to eliminate the ...