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Machine-learned exchange-correlation functionals
Machine-learned exchange-correlation functionals
PulseAugur coverage of Machine-learned exchange-correlation functionals — every cluster mentioning Machine-learned exchange-correlation functionals across labs, papers, and developer communities, ranked by signal.
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Machine learning for DFTB: Transferability of functionals analyzed
A new research paper investigates the transferability of machine-learned exchange-correlation functionals to density-functional tight binding (DFTB) methods. The study reveals that improvements in machine-learned functi…
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New AI method enhances accuracy of chemical functional predictions
Researchers have developed a new method called Derivative Informed XC-Loss (DI-Loss) to improve the accuracy of machine-learned exchange-correlation functionals in computational chemistry. This technique incorporates in…