Search

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Authors

Bardi Benediktsson

3 results in Authors: Bardi Benediktsson

Theoretical and Computational Chemistry

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

Magnus Strandgaard, Julius Seumer, Bardi Benediktsson, Arghya Bhowmik, Tejs Vegge, Jan H. Jensen

Version 1 posted 23 June 2023

438

Downloads

3

Citations

Theoretical and Computational Chemistry

Materials Funnel 2.0 - Data-driven hierarchical search for exploration of vast chemical spaces

Raul Ortega Ochoa, Bardi Benediktsson, Renata Sechi, Peter Bjørn Jørgensen, Arghya Bhowmik

Version 2 posted 27 September 2023

311

Downloads

Theoretical and Computational Chemistry

OM-DIFF: INVERSE-DESIGN OF ORGANOMETALLIC CATALYSTS WITH GUIDED EQUIVARIANT DENOISING DIFFUSION

François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel N. Schmidt, Arghya Bhowmik

Version 1 posted 28 March 2024

515

Downloads