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3:27 AM
thaw
 
 
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10:59 PM
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Q: What major advances in theoretical and computational chemistry have been made in recent decades?

Susi LehtolaComputational modeling has become a mainstay in chemistry, materials science and physics. However, the methods that are typically employed are already decades old: for instance, the B3LYP and PBE functionals that dominate simulation in molecular and solid-state contexts date back to 1994 and 1996...

 

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