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FINETUNA: fine-tuning accelerated molecular simulations

FINETUNA: fine-tuning accelerated molecular simulations

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_crossref_primary_10_1088_2632_2153_ac8fe0

FINETUNA: fine-tuning accelerated molecular simulations

About this item

Full title

FINETUNA: fine-tuning accelerated molecular simulations

Publisher

Bristol: IOP Publishing

Journal title

Machine learning: science and technology, 2022-09, Vol.3 (3), p.3

Language

English

Formats

Publication information

Publisher

Bristol: IOP Publishing

More information

Scope and Contents

Contents

Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomistic systems. However, simulation techniques based on first principles, such as density functional theory (DFT), are limited in their practical use due to their high computational expense. Machine learn...

Alternative Titles

Full title

FINETUNA: fine-tuning accelerated molecular simulations

Authors, Artists and Contributors

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_crossref_primary_10_1088_2632_2153_ac8fe0

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_crossref_primary_10_1088_2632_2153_ac8fe0

Other Identifiers

ISSN

2632-2153

E-ISSN

2632-2153

DOI

10.1088/2632-2153/ac8fe0

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