In chemistry, molecules with a "flat" geometry are often stable enough to support a wide range of reactions. But in the quantum world, that's not technically true.
A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...
By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...
Xanadu (Xanadu Quantum Technologies Inc.), a world leader in photonic quantum computing, today announced the publication of a quantum algorithm that significantly reduces the resource requirements to ...
A web platform uses a chatbot to enable any chemist -- including undergraduate chemistry majors -- to configure and execute complex quantum mechanical simulations through chatting. Advanced ...
Quantum chemistry is helping scientists understand why some chemical reactions succeed while others fail, by showing how the movement of electrons affects each step ...
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Ultrafast quantum chemistry engine could speed up the development of new medicines and materials
The powerful software can reduce the time needed to simulate reactions with large molecules from weeks to just minutes.
The study of silicon chemistry has long intrigued researchers due to silicon’s pivotal role in materials science, electronics, and catalysis. Its capacity to form a variety of coordination ...
A new computational approach developed at the University of Chicago promises to shed light on some of the world’s most puzzling materials—from high-temperature superconductors to solar cell ...
On May 7, 1981, influential physicist Richard Feynman gave a keynote speech at Caltech. Feynman opened his talk by politely rejecting the very notion of a keynote speech, instead saying that he had ...
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 ...
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