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 ...
Density Functional Theory (DFT) has emerged as a pivotal tool in quantum mechanical simulations for investigating the electronic structure of matter, offering a balance between computational ...
A study on predicting acid-gas densities for the pressure and temperature ranges relevant to acid-gas injection schemes found that only one common equation of state gave unsatisfactory results.
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