Quantum machine learning using atom-in-molecule-based fragments selected on the fly

B Huang, OA von Lilienfeld - Nature chemistry, 2020 - nature.com
First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …

Quantum machine learning using atom-in-molecule-based fragments selected on the fly

B Huang, OA von Lilienfeld - Nature chemistry, 2020 - pubmed.ncbi.nlm.nih.gov
First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …

Quantum machine learning using atom-in-molecule-based fragments selected on the fly.

B Huang, OA von Lilienfeld - Nature chemistry, 2020 - folia.unifr.ch
English First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …

Quantum machine learning using atom-in-molecule-based fragments selected on the fly.

B Huang, OA von Lilienfeld - Nature Chemistry, 2020 - europepmc.org
First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …

Quantum machine learning using atom-in-molecule-based fragments selected on-the-fly

B Huang, O Anatole von Lilienfeld - arXiv e-prints, 2017 - ui.adsabs.harvard.edu
First principles based exploration of chemical space deepens our understanding of
chemistry, and might help with the design of new materials or experiments. Due to the …

Quantum machine learning using atom-in-molecule-based fragments selected on the fly.

B Huang, OA von Lilienfeld - Nature chemistry, 2020 - sonar.ch
English First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …

Quantum machine learning using atom-in-molecule-based fragments selected on-the-fly

B Huang, OA von Lilienfeld - arXiv preprint arXiv:1707.04146, 2017 - arxiv.org
First principles based exploration of chemical space deepens our understanding of
chemistry, and might help with the design of new materials or experiments. Due to the …

Quantum machine learning using atom-in-molecule-based fragments selected on the fly

B Huang, OA von Lilienfeld - Nature Chemistry, 2020 - ui.adsabs.harvard.edu
First-principles-based exploration of chemical space deepens our understanding of
chemistry and might help with the design of new molecules, materials or experiments. Due …