Improving accuracy and transferability of machine learning chemical activation energies by adding electronic structure information
E Marques, S De Gendt, G Pourtois… - Journal of Chemical …, 2023 - ACS Publications
Predicting chemical activation energies is one of the longstanding and important challenges
in computational chemistry. Recent advances have shown that machine learning can be …
in computational chemistry. Recent advances have shown that machine learning can be …
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information
E Marques, S de Gendt, G Pourtois… - Journal of chemical …, 2023 - pubmed.ncbi.nlm.nih.gov
Predicting chemical activation energies is one of the longstanding and important challenges
in computational chemistry. Recent advances have shown that machine learning can be …
in computational chemistry. Recent advances have shown that machine learning can be …
[引用][C] Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information
E Marques, S de Gendt, G Pourtois, MJ van Setten - 2023 - imec-publications.be
Predicting chemical activation energies is one of the longstanding and important challenges
in computational chemistry. Recent advances have shown that machine learning can be …
in computational chemistry. Recent advances have shown that machine learning can be …
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information.
E Marques, S de Gendt, G Pourtois… - Journal of Chemical …, 2023 - europepmc.org
Predicting chemical activation energies is one of the longstanding and important challenges
in computational chemistry. Recent advances have shown that machine learning can be …
in computational chemistry. Recent advances have shown that machine learning can be …