Amir Karton on Muck Rack

Amir Karton

New South Wales
As seen in: Color Research & Application, Nature, Wiley Online Library, MDPI, ACS Publications, Royal Society of Chemistry, CSIRO Publishing, Journal of Chemical Physics, Biochemistry & Cell Biology
iChem Therefore iAm. Founding Director, Institute for Strategic AI (ISA) | Visiting Researcher @MSFTResearch | Professor of Computational & Materials Chemistry
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Articles

Double-Hybrid, but Not Double-Cost: GPU-Accelerated DHDFT for the COMPAS-3 Data Set of Polybenzenoid Hydrocarbons Click to copy article link Article link copied!

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By Ryan Stocks, Elise Palethorpe, Amir Karton
| dx.doi.org
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Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space

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By Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor García Satorras, Stephanie Lanius, Marwin HS Segler, Derk P. Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Paola Gori-Giorgi, Amir Karton, Klaas J. H. Giesbertz, Rianne van den Berg
| Nature
Abstract Accurate thermochemical data with sub-chemical accuracy (within 1 kcal mol−1 of the empirical ground truth) are essential for advancing computational chemistry methods. However, existing datasets that reach this level of accuracy remain limited in size or scope. This hinders the development of data-driven methods with predictive accuracy across the broad chemical space of closed-shell, neutral molecules.
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W1–S N 2–BH: A Large-Scale CCSD(T)/CBS Kinetic Database Click to copy article link Article link copied!

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By Amir Karton
| dx.doi.org
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