Quantum computers would likely outperform conventional computers in simulating chemical reactions involving more than four atoms, according to scientists. Such improved ability to model and predict ...
WEST LAFAYETTE, Ind. – A Purdue-affiliated company is developing a way to reduce drug development costs by more accurately and efficiently modeling molecules and chemical reactions in liquid solutions ...
Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...
During chemical reactions, atoms in the reacting substances break their bonds and re-arrange, forming different chemical ...
[Bruce Land] is a professor at Cornell University who was looking for a way to quickly solve chemical kinetic systems. He had used MATLAB but longed for a faster method. His upgrade achieves a 100 ...
(Nanowerk News) Have you ever wondered how the tiny components and devices inside your cell phone are made? The devices inside your phone and computer, such as integrated circuits, microprocessors and ...
(Nanowerk News) Researchers from Carnegie Mellon University and Los Alamos National Laboratory have used machine learning to create a model that can simulate reactive processes in a diverse set of ...
What is actually happening at the atomic scale when two elements react? This year's chemistry prize goes to three theoretical chemists who devised a way for computers to model and predict how such ...
WEST LAFAYETTE, Ind. – A Purdue-affiliated company is developing a way to reduce drug development costs by more accurately and efficiently modeling molecules and chemical reactions in liquid solutions ...
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