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5 results in Authors: Jan Halborg Jensen

Theoretical and Computational Chemistry

Improving Solvation Energy Predictions Using The SMD Solvation Method and Semiempirical Electronic Structure Methods

Jimmy C. Kromann, Casper Steinmann, Jan Halborg Jensen

Version 1 posted 27 June 2018

1,001

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De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates

Maria Harris Rasmussen, Julius Seumer, Jan Halborg Jensen

Version 1 posted 03 July 2023

359

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Theoretical and Computational Chemistry

Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

Maria H. Rasmussen, Chenru Duan, Heather J. Kulik, Jan Halborg Jensen

Version 1 posted 08 September 2023

1,285

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1

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Theoretical and Computational Chemistry

Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms

Magnus Strandgaard, Julius Seumer, Jan Halborg Jensen

Version 2 posted 30 April 2024

237

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Theoretical and Computational Chemistry

Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes

Magnus Strandgaard, Trond Linjordet, Hannes Kneiding, Arron Burnage, Ainara Nova, Jan Halborg Jensen, David Balcells

Version 1 posted 29 May 2024

16

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